A0A077YW89_TRITR Loading...

Neurotrypsin

Plays a role in neuronal plasticity and the proteolytic action may subserve structural reorganizations associated with learning and memory operations.

AlphaFold DB , UniProt , Accession A0A077YW89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,012 aa.

						>A0A077YW89_TRITR|A0A077YW89
MGYGWTGTLLTVLLSLFQFKTSVASFVKLQVNEIPNPLLQARNSRQMGSGQLVRLRGINRRFGEGRVEVMSGDLWGLICGDQFSINEANVICRQLGFERGANNFTTIELFGPPDSRHFNLIGLSCQGSERNVFHCRRNLHGRCSPPSRSVSVMCKQNYPSRCSPGGILFREKCFHFFNNLDYSFDMAEAQCLRMGGGLAVITSQEENDFISDVLSTLSEHVRRPKSWYIGGRRQEGSWKWQTDRILRQTTFSKWDPKGAKIHRNQDCVVMWNQRRFGSDYYYWDATNCRKRLPFVCQKDAYDIGCRVGDGSTYKGSANVSGTGLGCLPWAGSTVKSSLPYRQQQMLEQNYCRNPNGSPEPWCIVERDRRERCDIPECVVSNDILTDEQSSSLECGKDEIKCGDLQMYAKCTFCLARLFWLLQCFLKTNLQCAKRCLHGKNFICNSFSYDYKERVCLLSSSSAKSGLALSDVSSSDYYERTRPKGSEEKTTFKARLTGGTVPWEGKVEVNIGGSWAAVCDDGWNINAARVVCRQLGYPQALRSWIGMTNPKNYLMDDVKCTGNERYLNECRFSGWGKHDCGPNEAAGVQCAVTETECLPKKFKCTSGHCIDFKWICDGEDDCGDGSDEDQKKCKDPVEVRLVNGTSPDKGRIEVKYYGIWGSVCSSGFTVDDAKVICRMLKHNGTPMIYPNGKFGSSKGPIWLQQPGCSGDEKTLKQCRIRRWGVNKCTHAEDVAITCAEPLHVTIPDVPPSPSSPDCGRTFVSFRARDPRHGYLARVVGGFEVRHGAFPWTAAIKLEDNRHLCGASIVSNYHLISAAHCFEDVPDISLYSIVVGDWDTNVPDGTEQKFSIEYVSLVPGYENILKDDIAVIKIKPKNNSGIVFSKFVQPICLPEVNASYEPGNKCTISGWGSTGTQNPRRLQAAEIPILSQKTCSDPLVYGNLLTEHTFCAGYLQGHVDSCKGDSGGPFACLVNGKYYLHGVISWGDGCAQQYRPGVYTRVKDYLSWIKEQLV
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	37.6	Very low	253 Å²	253	142 Å²	142	100%	1.246	80%	0.802	S	S	*	*				0	98.8	0	-56.9	165.8	-178.4	0	0	105.1
2	G	37	Very low	37.2	Very low	70 Å²	70	140.5 Å²	140.5	72%	0.722	80%	0.797	S	S	*	*			cis	107.1	124.5	33.1	0	0	0	0	0	107.1
3	Y	41.7	Very low	36.8	Very low	222 Å²	222	141 Å²	141	87%	0.871	80%	0.795	S	S	*	*			cis	-133.8	161.5	12.2	-72.9	-109.3	0	0	0	108.7
4	G	33.2	Very low	36.4	Very low	64 Å²	64	141.6 Å²	141.6	66%	0.66	79%	0.794	S	S	*	*				74.7	121.3	54.3	0	0	0	0	0	110
5	W	37	Very low	36	Very low	228 Å²	228	138.3 Å²	138.3	86%	0.864	79%	0.785	S	S	*	*			cis	-158.4	155	47	-87.4	65.8	0	0	0	114.3
6	T	40.3	Very low	35.7	Very low	126 Å²	126	140.9 Å²	140.9	77%	0.773	80%	0.795	S	S	*	*			trans	-13	153.5	157.5	57.9	0	0	0	0	121.4
7	G	38.7	Very low	35.5	Very low	63 Å²	63	144.5 Å²	144.5	65%	0.649	80%	0.8	S	S	*	*			cis	161.8	156.5	-4.2	0	0	0	0	0	114.4
8	T	41.7	Very low	35.1	Very low	139 Å²	139	146.1 Å²	146.1	85%	0.853	80%	0.8	S	S	*	*			trans	52.9	139.8	155	13.4	0	0	0	0	120.2
9	L	37.5	Very low	34.9	Very low	138 Å²	138	148.6 Å²	148.6	72%	0.723	80%	0.803	S	S	*	*			cis	-168.4	143	40.6	-154.4	121	0	0	0	111.6
10	L	34.6	Very low	34.7	Very low	145 Å²	145	151.4 Å²	151.4	76%	0.759	81%	0.807	S	S	*	*			trans	53.8	133.1	165.2	-92.9	61.3	0	0	0	119.4
11	T	34.2	Very low	34.4	Very low	114 Å²	114	151.3 Å²	151.3	70%	0.699	81%	0.812	S	S	*	*			cis	-153.7	127.7	6.8	-14.5	0	0	0	0	110.2
12	V	33	Very low	34.2	Very low	124 Å²	124	145 Å²	145	75%	0.752	79%	0.793	S	S	*	*			trans	31.7	134.3	135.9	-179.4	0	0	0	0	119.1
13	L	32	Very low	33.8	Very low	147 Å²	147	148.4 Å²	148.4	77%	0.77	80%	0.8	S	S	*	*			cis	-170.2	155.1	-14.4	-95.3	-176.6	0	0	0	103.8
14	L	31.2	Very low	33.3	Very low	149 Å²	149	141.4 Å²	141.4	78%	0.78	79%	0.788	S	S	*	*			cis	-148.4	145.7	-4.8	-151.8	164	0	0	0	106.2
15	S	29.6	Very low	32.9	Very low	93 Å²	93	143.9 Å²	143.9	65%	0.65	80%	0.795	S	S	*	*			trans	-108.8	143.2	-176.9	51.7	0	0	0	0	113.7
16	L	30.9	Very low	32.4	Very low	180 Å²	180	142 Å²	142	94%	0.942	79%	0.793	S	S	*	*			trans	-133.6	92.4	154.6	-89.1	172.2	0	0	0	108.8
17	F	32.1	Very low	31.7	Very low	202 Å²	202	142 Å²	142	89%	0.886	79%	0.792	S	S	*	*			trans	-101.3	120.7	173.2	-114.3	-90.6	0	0	0	108.8
18	Q	28.9	Very low	31.1	Very low	172 Å²	172	147.6 Å²	147.6	80%	0.804	80%	0.799	S	S	*	*			trans	179.1	171	155.6	-95.1	-65	-19.4	0	0	106.2
19	F	32.2	Very low	30.2	Very low	195 Å²	195	146.9 Å²	146.9	86%	0.855	79%	0.79	S	S	*	*			trans	67.9	108.9	-177.8	-60.7	-90.5	0	0	0	117.5
20	K	29.2	Very low	29.6	Very low	203 Å²	203	147.4 Å²	147.4	88%	0.883	79%	0.788	S	S	*	*			trans	-176.6	106.6	153	-107.1	160.3	-173.9	173.8	0	111.5
21	T	29.7	Very low	29.2	Very low	150 Å²	150	146.8 Å²	146.8	92%	0.92	79%	0.79	S	S	*	*			trans	173.9	92.1	142.1	31.5	0	0	0	0	111.4
22	S	33.9	Very low	28.8	Very low	121 Å²	121	146.5 Å²	146.5	85%	0.846	78%	0.784	S	S	*	*			trans	-157.8	136.4	148.7	-170.8	0	0	0	0	108.6	A24	S22-A24 PolarHBondContact O-N 3.44Å
23	V	28	Very low	28.5	Very low	142 Å²	142	148.5 Å²	148.5	86%	0.861	79%	0.786	S	S	*	*			trans	-87.7	92.6	-162.7	-176.5	0	0	0	0	110.6
24	A	31.4	Very low	28.2	Very low	75 Å²	75	149.2 Å²	149.2	62%	0.62	79%	0.789	S	S	*	*			trans	-84.1	121.6	170	0	0	0	0	0	111	S22 F26	S22-A24 PolarHBondContact O-N 3.44Å; A24-F26 VanDerWaalsContact C-N 3.32Å; A24-F26 PolarHBondContact O-N 3.26Å
25	S	25.7	Very low	28	Very low	115 Å²	115	146.3 Å²	146.3	80%	0.804	78%	0.778	S	S	*	*			trans	-67.6	77.4	-179.6	-59.2	0	0	0	0	113.3	V27	S25-V27 PolarHBondContact O-N 3.04Å; S25-V27 VanDerWaalsContact O-N 3.13Å
26	F	26	Very low	27.9	Very low	189 Å²	189	145.9 Å²	145.9	83%	0.829	77%	0.769	S	S	*	*			trans	-78.3	90.6	169.2	-100.9	-88.7	0	0	0	111	A24 K28	A24-F26 VanDerWaalsContact C-N 3.32Å; A24-F26 PolarHBondContact O-N 3.26Å; F26-K28 PolarHBondContact O-N 2.84Å
27	V	25.1	Very low	27.8	Very low	125 Å²	125	141 Å²	141	76%	0.758	75%	0.748	S	S	*	*			trans	-68.1	88.8	160.7	-179.3	0	0	0	0	107.9	S25 L29	S25-V27 PolarHBondContact O-N 3.04Å; S25-V27 VanDerWaalsContact O-N 3.13Å; V27-L29 VanDerWaalsContact C-N 3.32Å; V27-L29 PolarHBondContact O-N 2.83Å
28	K	25.2	Very low	27.5	Very low	181 Å²	181	137.2 Å²	137.2	79%	0.787	74%	0.736	S	S	*	*			trans	-65.2	96.7	163.5	-107.3	-178	176	178.1	0	107.5	F26 Q30	F26-K28 PolarHBondContact O-N 2.84Å; K28-Q30 PolarHBondContact O-N 3.03Å
29	L	23.5	Very low	27.6	Very low	125 Å²	125	133.9 Å²	133.9	65%	0.654	72%	0.723	S	S	*	*			trans	-59	93.9	158.7	-87	149.3	0	0	0	107.6	V27 V31 L139	V27-L29 VanDerWaalsContact C-N 3.32Å; V27-L29 PolarHBondContact O-N 2.83Å; L29-V31 PolarHBondContact O-N 2.99Å; L29-V31 VanDerWaalsContact O-N 3.12Å; L29-L139 HydrophobicContact CD1-CD1 3.59Å
30	Q	25.6	Very low	27.6	Very low	148 Å²	148	128.8 Å²	128.8	69%	0.692	70%	0.702	S	S	*	*			trans	-66	111.5	164.4	-74.3	-165	-106.1	0	0	107.4	K28 N32	K28-Q30 PolarHBondContact O-N 3.03Å; Q30-N32 WeakPolarHBondContact CB-OD1 3.43Å; Q30-N32 PolarHBondContact NE2-OD1 2.72Å; Q30-N32 PolarHBondContact O-N 2.64Å
31	V	24.6	Very low	27.6	Very low	133 Å²	133	120.6 Å²	120.6	81%	0.806	67%	0.673	S	S	*	*			trans	-67.4	81.5	163	-179.1	0	0	0	0	106.6	L29 E33	L29-V31 PolarHBondContact O-N 2.99Å; L29-V31 VanDerWaalsContact O-N 3.12Å; V31-E33 PolarHBondContact O-N 3.49Å
32	N	26.6	Very low	27.8	Very low	107 Å²	107	123.8 Å²	123.8	57%	0.572	67%	0.668	S	S	*	*			trans	-77.3	107.7	-179.9	-82.6	-9.8	0	0	0	109.6	Q30	Q30-N32 WeakPolarHBondContact CB-OD1 3.43Å; Q30-N32 PolarHBondContact NE2-OD1 2.72Å; Q30-N32 PolarHBondContact O-N 2.64Å
33	E	27.6	Very low	27.7	Very low	167 Å²	167	121.9 Å²	121.9	78%	0.78	65%	0.648	S	S	*	*			trans	61.3	109.8	136.8	-58.2	-175.7	165.9	0	0	117.6	V31 P35	V31-E33 PolarHBondContact O-N 3.49Å; E33-P35 WeakPolarHBondContact O-CD 3.19Å
34	I	25.4	Very low	28	Very low	162 Å²	162	117 Å²	117	83%	0.831	62%	0.62	S	S	*	*			trans	-48.6	118.1	162	-62.4	164.4	0	0	0	108.5	N36	I34-N36 PolarHBondContact O-N 3.03Å
35	P	27.2	Very low	28.2	Very low	87 Å²	87	120.8 Å²	120.8	57%	0.565	62%	0.618	S	S	*	*			trans	-60.8	129.1	-177.6	-26	35.1	0	0	0	111.7	E33	E33-P35 WeakPolarHBondContact O-CD 3.19Å
36	N	27.2	Very low	28.7	Very low	84 Å²	84	119.5 Å²	119.5	45%	0.449	60%	0.6	S	S	.	*			trans	-44.8	124.3	-179	-179.4	-13.4	0	0	0	112.2	I34 L38 L39	I34-N36 PolarHBondContact O-N 3.03Å; N36-L38 PolarHBondContact O-N 2.89Å; N36-L38 WeakPolarHBondContact OD1-CB 3.39Å; N36-L38 PolarHBondContact OD1-N 3.42Å; N36-L39 HydrophobicContact CB-CD1 4.35Å; N36-L39 WeakPolarHBondContact O-CB 3.45Å; N36-L39 PolarHBondContact O-N 2.81Å
37	P	27.9	Very low	29.6	Very low	78 Å²	78	113.3 Å²	113.3	51%	0.506	57%	0.574	S	S	.	*	H	α-helix	trans	-53.7	-28.1	179.1	-28.3	35.5	0	0	0	114.4	L39 Q40	P37-L39 VanDerWaalsContact C-N 3.27Å; P37-L39 PolarHBondContact O-N 3.38Å; P37-Q40 PolarHBondContact O-N 2.8Å
38	L	27	Very low	31.1	Very low	123 Å²	123	109.5 Å²	109.5	64%	0.644	56%	0.56	S	S	*	*	H	α-helix	trans	-73.3	-13.3	178.8	-62	172.3	0	0	0	114	N36	N36-L38 PolarHBondContact O-N 2.89Å; N36-L38 WeakPolarHBondContact OD1-CB 3.39Å; N36-L38 PolarHBondContact OD1-N 3.42Å
39	L	29.9	Very low	33.1	Very low	101 Å²	101	101.2 Å²	101.2	53%	0.529	53%	0.525	S	S	.	.	H	α-helix	trans	-85.4	-24.6	172.6	-90.6	160.8	0	0	0	112.8	N36 P37	N36-L39 HydrophobicContact CB-CD1 4.35Å; N36-L39 WeakPolarHBondContact O-CB 3.45Å; N36-L39 PolarHBondContact O-N 2.81Å; P37-L39 VanDerWaalsContact C-N 3.27Å; P37-L39 PolarHBondContact O-N 3.38Å
40	Q	31.8	Very low	35.4	Very low	88 Å²	88	96.4 Å²	96.4	41%	0.411	51%	0.505	S	S	.	.	H	α-helix	trans	-77.8	-26.3	-176.6	-62.9	-169	5.2	0	0	113.6	P37 R42	P37-Q40 PolarHBondContact O-N 2.8Å; Q40-R42 PolarHBondContact O-N 3.25Å
41	A	30.9	Very low	38	Very low	32 Å²	32	89.6 Å²	89.6	26%	0.264	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.5	-177.6	0	0	0	0	0	114.7
42	R	33.2	Very low	40.8	Very low	216 Å²	216	87 Å²	87	82%	0.815	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-11.8	-178.1	-93.6	-179	168.6	168.5	-2.1	115	Q40	Q40-R42 PolarHBondContact O-N 3.25Å
43	N	32	Very low	43.8	Very low	82 Å²	82	82.1 Å²	82.1	44%	0.439	43%	0.429	S	S	.	.			trans	-98.3	28.2	-176.1	-73.9	3.4	0	0	0	113.6	R45 Q46	N43-R45 PolarHBondContact O-N 3.13Å; N43-Q46 PolarHBondContact O-N 3.1Å
44	S	33.4	Very low	46.8	Very low	38 Å²	38	75.6 Å²	75.6	27%	0.266	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	8	-170.9	88.1	0	0	0	0	116.3
45	R	35.8	Very low	50	Low	155 Å²	155	67.9 Å²	67.9	59%	0.585	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-16.3	172.3	-72.2	-173.7	173.2	175.1	1.5	113.7	N43 G258	N43-R45 PolarHBondContact O-N 3.13Å; R45-G258 PolarHBondContact NE-O 3.44Å; R45-G258 PolarHBondContact NH2-O 3.11Å
46	Q	37.6	Very low	52.9	Low	89 Å²	89	64.3 Å²	64.3	42%	0.416	33%	0.333	S	S	.	.	S	Bend	trans	-96.7	111.3	165.4	-80.6	-134.5	-32.7	0	0	110.2	N43 G48 D986	N43-Q46 PolarHBondContact O-N 3.1Å; Q46-G48 PolarHBondContact O-N 3.22Å; Q46-D986 WeakPolarHBondContact CG-OD2 3.06Å; Q46-D986 PolarHBondContact NE2-OD2 3.39Å
47	M	44.8	Very low	55.6	Low	59 Å²	59	61.4 Å²	61.4	29%	0.291	32%	0.322	S	S	.	.			trans	-80.6	53.6	-175.9	-63.1	-171.5	61.4	0	0	112.6	S49 Q273 F276 Y282	M47-S49 PolarHBondContact O-N 2.74Å; M47-Q273 HydrophobicContact CE-CB 4.39Å; M47-Q273 VanDerWaalsContact CE-CD 3.46Å; M47-Q273 HydrophobicContact CE-CG 3.83Å; M47-Q273 VanDerWaalsContact CE-NE2 3.32Å; M47-Q273 HydrophobicContact SD-CG 4.45Å; M47-Q273 PolarHBondContact SD-NE2 3.1Å; M47-Q273 PolarHBondContact SD-OE1 3.5Å; M47-F276 HydrophobicContact SD-CE2 4.25Å; M47-Y282 HydrophobicContact CB-CD1 4.33Å; M47-Y282 HydrophobicContact CB-CE1 3.88Å; M47-Y282 HydrophobicContact CE-CD1 3.5Å; M47-Y282 HydrophobicContact CE-CD2 3.28Å; M47-Y282 HydrophobicContact CE-CE1 3.92Å; M47-Y282 HydrophobicContact CE-CE2 3.72Å; M47-Y282 HydrophobicContact CE-CG 3.16Å; M47-Y282 WeakPolarHBondContact O-CE1 3.43Å; M47-Y282 PolarHBondContact O-OH 3.27Å
48	G	55.6	Low	58.1	Low	44 Å²	44	62.8 Å²	62.8	45%	0.454	32%	0.324	S	S	.	.			trans	-73.6	115	164.6	0	0	0	0	0	109.5	Q46 G50 K253	Q46-G48 PolarHBondContact O-N 3.22Å; G48-G50 PolarHBondContact O-N 2.97Å; G48-K253 PolarHBondContact O-NZ 3.3Å
49	S	67.3	Low	60.4	Low	8 Å²	8	63 Å²	63	6%	0.056	33%	0.326	C	S	.	.			trans	-51.3	-35.1	-175.4	61.2	0	0	0	0	113.7	M47 Q51 Q204 Y280	M47-S49 PolarHBondContact O-N 2.74Å; S49-Q51 VanDerWaalsContact C-N 3.28Å; S49-Q51 WeakPolarHBondContact OG-CB 3.16Å; S49-Q51 PolarHBondContact OG-N 3.47Å; S49-Q204 PolarHBondContact O-NE2 3.32Å; S49-Y280 VanDerWaalsContact CB-CE1 3.4Å; S49-Y280 PolarHBondContact O-OH 2.99Å
50	G	71.3	Confident	63.2	Low	23 Å²	23	58.9 Å²	58.9	24%	0.237	30%	0.303	C	S	.	.			trans	89.5	-7.3	-172.8	0	0	0	0	0	113.7	G48 L52 K253	G48-G50 PolarHBondContact O-N 2.97Å; G50-L52 PolarHBondContact O-N 3.39Å; G50-K253 VanDerWaalsContact N-NZ 3.12Å
51	Q	80.4	Confident	65.8	Low	6 Å²	6	63.4 Å²	63.4	3%	0.028	32%	0.317	C	S	.	.			trans	-55	129.8	165.6	-63.5	-172.7	-59.4	0	0	108.8	S49 W75 D208 Y280	S49-Q51 VanDerWaalsContact C-N 3.28Å; S49-Q51 WeakPolarHBondContact OG-CB 3.16Å; S49-Q51 PolarHBondContact OG-N 3.47Å; Q51-W75 HydrophobicContact CB-CH2 3.61Å; Q51-W75 HydrophobicContact CB-CZ2 3.87Å; Q51-W75 WeakPolarHBondContact O-CH2 3.46Å; Q51-W75 VanDerWaalsContact O-CZ2 3.29Å; Q51-W75 WeakPolarHBondContact O-CZ2 3.43Å; Q51-D208 HydrophobicContact CG-CB 4.29Å; Q51-D208 VanDerWaalsContact CG-OD1 3.28Å; Q51-D208 WeakPolarHBondContact CG-OD1 3.47Å; Q51-Y280 HydrophobicContact CG-CD2 3.9Å; Q51-Y280 HydrophobicContact CG-CE2 3.56Å
52	L	84.2	Confident	68.7	Low	79 Å²	79	63.1 Å²	63.1	41%	0.414	31%	0.31	S	S	.	.	S	Bend	trans	-96.9	-25.4	169.8	-78.4	-176.8	0	0	0	111.9	G50 V69 M70 F133	G50-L52 PolarHBondContact O-N 3.39Å; L52-V69 WeakPolarHBondContact O-CA 3.31Å; L52-M70 PolarHBondContact O-N 3.36Å; L52-F133 HydrophobicContact CB-CE2 4.1Å
53	V	89.6	Confident	71.5	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.2	176.7	-177.7	0	0	0	0	106.9	V67 E68 V69 I91 L95 V132	V53-V67 HydrophobicContact CG1-CG1 3.92Å; V53-E68 CarbonylContact C-O 3.54Å; V53-E68 WeakPolarHBondContact CA-O 3.48Å; V53-V69 HydrophobicContact CB-CG1 4.47Å; V53-V69 HydrophobicContact CG1-CG1 4.14Å; V53-V69 HydrophobicContact CG2-CG1 4.02Å; V53-I91 HydrophobicContact CG1-CG2 4.03Å; V53-L95 HydrophobicContact CB-CD2 4.41Å; V53-L95 HydrophobicContact CG1-CD1 4.35Å; V53-L95 HydrophobicContact CG1-CD2 4.29Å; V53-L95 HydrophobicContact CG1-CG 4.33Å; V53-V132 HydrophobicContact CG2-CG1 3.63Å
54	R	90.7	Very high	74.4	Confident	29 Å²	29	51.7 Å²	51.7	11%	0.109	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.4	-180	71.3	-171.3	-161.3	174.9	4.7	111.6	R56 E68 W75	R54-R56 HydrophobicContact CG-CG 4.1Å; R54-E68 HydrophobicContact CG-CB 3.77Å; R54-E68 IonicContact CZ-OE2 2.69Å; R54-E68 PolarHBondContact N-O 2.87Å; R54-E68 IonicContact NE-OE2 3.42Å; R54-E68 PolarHBondContact NE-OE2 2.72Å; R54-E68 IonicContact NH2-OE2 3.2Å; R54-E68 PolarHBondContact NH2-OE2 3.04Å; R54-E68 PolarHBondContact O-N 3.08Å; R54-W75 HydrophobicContact CB-CH2 4.15Å; R54-W75 HydrophobicContact CB-CZ3 4.12Å; R54-W75 VanDerWaalsContact CD-CE3 3.49Å; R54-W75 VanDerWaalsContact CD-CZ3 3.47Å; R54-W75 HydrophobicContact CG-CD2 4.45Å; R54-W75 HydrophobicContact CG-CE3 3.83Å; R54-W75 HydrophobicContact CG-CH2 3.92Å; R54-W75 HydrophobicContact CG-CZ3 3.53Å; R54-W75 VanDerWaalsContact CZ-CG 3.47Å; R54-W75 VanDerWaalsContact NH1-CD1 3.34Å; R54-W75 VanDerWaalsContact NH1-NE1 3.19Å
55	L	92	Very high	77.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.1	170.1	-57.7	-178.5	0	0	0	109.7	R60 R66 V67 L95 V152	L55-R60 PolarHBondContact O-NH2 3.45Å; L55-R66 CarbonylContact C-O 3.54Å; L55-R66 WeakPolarHBondContact CA-O 3.48Å; L55-V67 HydrophobicContact CD2-CG2 4.11Å; L55-L95 HydrophobicContact CD1-CD1 4.06Å; L55-L95 HydrophobicContact CD2-CD1 3.71Å; L55-L95 HydrophobicContact CG-CD1 3.69Å; L55-V152 HydrophobicContact CD2-CG2 3.5Å
56	R	89.3	Confident	80	Confident	12 Å²	12	42.8 Å²	42.8	5%	0.045	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	169	-178.8	-71	-62.1	179.9	-95.6	6.6	112.5	R54 R66 E68 D279	R54-R56 HydrophobicContact CG-CG 4.1Å; R56-R66 PolarHBondContact N-O 2.86Å; R56-R66 WeakPolarHBondContact O-CB 3.19Å; R56-R66 PolarHBondContact O-N 2.81Å; R56-E68 WeakPolarHBondContact CB-OE1 3.08Å; R56-E68 WeakPolarHBondContact CG-OE2 3.15Å; R56-D279 IonicContact NE-OD2 3.37Å
57	G	82.9	Confident	82.7	Confident	22 Å²	22	38.6 Å²	38.6	23%	0.227	20%	0.204	C	C	.	.			trans	114.1	171.7	175.9	0	0	0	0	0	113.9	R60 F110	G57-R60 WeakPolarHBondContact O-CD 3.36Å; G57-F110 CarbonylContact C-O 3.54Å; G57-F110 WeakPolarHBondContact CA-O 3.31Å
58	I	79.6	Confident	84.9	Confident	108 Å²	108	36.2 Å²	36.2	55%	0.554	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	153.3	-172	58.5	172.7	0	0	0	112.7	R60 F110	I58-R60 PolarHBondContact O-N 3.24Å; I58-F110 PolarHBondContact N-O 3.44Å
59	N	77	Confident	86.5	Confident	127 Å²	127	34.1 Å²	34.1	68%	0.679	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	26.9	175.1	-55.1	-27.9	0	0	0	114.3
60	R	87.1	Confident	87.2	Confident	14 Å²	14	35.2 Å²	35.2	5%	0.053	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-85	142.1	-173.8	79.1	-172.9	-171.2	93.5	-3.9	111.2	L55 G57 I58 E64 F110 D212 S215 T216	L55-R60 PolarHBondContact O-NH2 3.45Å; G57-R60 WeakPolarHBondContact O-CD 3.36Å; I58-R60 PolarHBondContact O-N 3.24Å; R60-E64 WeakPolarHBondContact CD-O 3.42Å; R60-E64 PolarHBondContact NH1-O 3Å; R60-F110 HydrophobicContact CB-CD1 3.61Å; R60-F110 HydrophobicContact CB-CE1 3.86Å; R60-D212 IonicContact CZ-OD1 3.61Å; R60-D212 VanDerWaalsContact CZ-OD1 3.32Å; R60-D212 IonicContact NH1-OD1 3.2Å; R60-D212 PolarHBondContact NH1-OD1 3.14Å; R60-D212 IonicContact NH1-OD2 2.92Å; R60-D212 PolarHBondContact NH1-OD2 2.96Å; R60-D212 IonicContact NH2-OD1 3.91Å; R60-D212 PolarHBondContact NH2-OD1 2.88Å; R60-D212 IonicContact NH2-OD2 2.74Å; R60-S215 PolarHBondContact NH2-OG 3.44Å; R60-T216 HydrophobicContact CG-CG2 4.11Å
61	R	88.1	Confident	87.2	Confident	184 Å²	184	36.6 Å²	36.6	69%	0.694	18%	0.181	S	C	*	.	P	Polyproline II helix	trans	-83.6	163.8	171.1	-57.2	178.8	175.9	-161.3	-2	110.3	G63 E64	R61-G63 PolarHBondContact O-N 2.76Å; R61-E64 HydrophobicContact CB-CB 4.5Å; R61-E64 HydrophobicContact CB-CG 4.26Å; R61-E64 WeakPolarHBondContact CB-OE2 3.25Å; R61-E64 WeakPolarHBondContact O-CB 3.48Å; R61-E64 PolarHBondContact O-N 3.09Å
62	F	90.3	Very high	86.6	Confident	25 Å²	25	38.8 Å²	38.8	11%	0.11	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	128.4	174.8	171	-117.9	0	0	0	110.9	E64 F97 Q156 I167 F209 D212 V213	F62-E64 VanDerWaalsContact C-N 3.33Å; F62-F97 HydrophobicContact CD2-CZ 4.43Å; F62-F97 AromaticContact CE1-CE1 3.8Å; F62-F97 HydrophobicContact CE1-CE1 3.8Å; F62-F97 AromaticContact CE1-CZ 3.95Å; F62-F97 HydrophobicContact CE1-CZ 3.95Å; F62-F97 HydrophobicContact CE2-CE1 4.37Å; F62-F97 AromaticContact CE2-CZ 3.68Å; F62-F97 HydrophobicContact CE2-CZ 3.68Å; F62-F97 AromaticContact CZ-CE1 3.67Å; F62-F97 HydrophobicContact CZ-CE1 3.67Å; F62-F97 AromaticContact CZ-CZ 3.4Å; F62-F97 HydrophobicContact CZ-CZ 3.4Å; F62-Q156 VanDerWaalsContact CE1-OE1 3.29Å; F62-Q156 PolarHBondContact O-NE2 3.34Å; F62-I167 HydrophobicContact CD1-CD1 3.99Å; F62-I167 HydrophobicContact CD1-CG2 4.27Å; F62-I167 HydrophobicContact CE1-CD1 4.2Å; F62-I167 HydrophobicContact CE1-CG2 3.48Å; F62-I167 VanDerWaalsContact CE1-CG2 3.48Å; F62-I167 HydrophobicContact CZ-CG2 4.07Å; F62-F209 HydrophobicContact CE1-CE2 4.43Å; F62-F209 HydrophobicContact CE1-CZ 4.09Å; F62-F209 HydrophobicContact CE2-CE2 4.49Å; F62-F209 HydrophobicContact CZ-CD2 4.13Å; F62-F209 AromaticContact CZ-CE1 4Å; F62-F209 HydrophobicContact CZ-CE1 4Å; F62-F209 AromaticContact CZ-CE2 3.6Å; F62-F209 HydrophobicContact CZ-CE2 3.6Å; F62-F209 AromaticContact CZ-CZ 3.52Å; F62-F209 HydrophobicContact CZ-CZ 3.52Å; F62-D212 HydrophobicContact CD2-CB 4.48Å; F62-D212 WeakPolarHBondContact CD2-OD2 3.14Å; F62-D212 HydrophobicContact CE2-CB 4.22Å; F62-V213 HydrophobicContact CD1-CG2 4.23Å; F62-V213 HydrophobicContact CD2-CB 4.15Å; F62-V213 HydrophobicContact CD2-CG2 3.5Å; F62-V213 VanDerWaalsContact CD2-CG2 3.5Å; F62-V213 HydrophobicContact CE1-CG2 4.05Å; F62-V213 HydrophobicContact CE2-CB 4.31Å; F62-V213 HydrophobicContact CE2-CG2 3.28Å; F62-V213 HydrophobicContact CG-CG2 3.98Å; F62-V213 HydrophobicContact CZ-CG2 3.58Å
63	G	92.4	Very high	85.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	5.6	-172.8	0	0	0	0	0	115.5	R61 C154	R61-G63 PolarHBondContact O-N 2.76Å; G63-C154 WeakPolarHBondContact O-CB 3.49Å; G63-C154 PolarHBondContact O-N 3.29Å
64	E	93.8	Very high	84.7	Confident	58 Å²	58	43.2 Å²	43.2	27%	0.271	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.6	174.9	-59.3	180	171.2	0	0	110.8	R60 R61 F62 F110 V152 M153	R60-E64 WeakPolarHBondContact CD-O 3.42Å; R60-E64 PolarHBondContact NH1-O 3Å; R61-E64 HydrophobicContact CB-CB 4.5Å; R61-E64 HydrophobicContact CB-CG 4.26Å; R61-E64 WeakPolarHBondContact CB-OE2 3.25Å; R61-E64 WeakPolarHBondContact O-CB 3.48Å; R61-E64 PolarHBondContact O-N 3.09Å; F62-E64 VanDerWaalsContact C-N 3.33Å; E64-F110 HydrophobicContact CB-CE1 4.15Å; E64-F110 HydrophobicContact CB-CZ 3.91Å; E64-V152 WeakPolarHBondContact CA-O 3.39Å; E64-M153 HydrophobicContact CG-CB 4.11Å; E64-M153 HydrophobicContact CG-CG 4.02Å
65	G	92.9	Very high	84.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.7	172.8	170.8	0	0	0	0	0	114.6	S151 V152	G65-S151 CarbonylContact O-C 3.53Å; G65-S151 WeakPolarHBondContact O-CA 3.24Å; G65-S151 WeakPolarHBondContact O-CB 3.47Å; G65-V152 PolarHBondContact N-O 3.49Å; G65-V152 VanDerWaalsContact N-O 3.16Å; G65-V152 PolarHBondContact O-N 2.94Å
66	R	93.1	Very high	84.2	Confident	7 Å²	7	44.4 Å²	44.4	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	134.8	168.7	-177.2	-179	63.7	-124	2.1	109.7	L55 R56 E68 L77 G111 P112 S149 S151	L55-R66 CarbonylContact C-O 3.54Å; L55-R66 WeakPolarHBondContact CA-O 3.48Å; R56-R66 PolarHBondContact N-O 2.86Å; R56-R66 WeakPolarHBondContact O-CB 3.19Å; R56-R66 PolarHBondContact O-N 2.81Å; R66-E68 IonicContact CZ-OE1 2.63Å; R66-E68 IonicContact NE-OE1 3.73Å; R66-E68 PolarHBondContact NE-OE1 2.94Å; R66-E68 VanDerWaalsContact NE-OE1 3.11Å; R66-E68 IonicContact NH2-OE1 2.68Å; R66-E68 PolarHBondContact NH2-OE1 2.92Å; R66-L77 HydrophobicContact CG-CD2 4.33Å; R66-G111 PolarHBondContact NH1-O 2.96Å; R66-P112 VanDerWaalsContact NH1-C 3.27Å; R66-P112 PolarHBondContact NH1-O 3.21Å; R66-S149 WeakPolarHBondContact CD-OG 3.5Å; R66-S151 WeakPolarHBondContact CA-OG 3.5Å
67	V	93.9	Very high	84.3	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	121.6	-179.9	-172	0	0	0	0	110.3	V53 L55 V69 I78 I91 V150 V152	V53-V67 HydrophobicContact CG1-CG1 3.92Å; L55-V67 HydrophobicContact CD2-CG2 4.11Å; V67-V69 HydrophobicContact CG1-CG1 4.06Å; V67-I78 HydrophobicContact CB-CD1 4.32Å; V67-I78 HydrophobicContact CG1-CD1 3.67Å; V67-I78 HydrophobicContact CG1-CG1 4.21Å; V67-I91 HydrophobicContact CG1-CD1 4.2Å; V67-I91 HydrophobicContact CG1-CG2 4.05Å; V67-I91 HydrophobicContact CG2-CG2 4.11Å; V67-V150 PolarHBondContact N-O 2.8Å; V67-V152 HydrophobicContact CG2-CB 4.25Å; V67-V152 HydrophobicContact CG2-CG1 3.71Å; V67-V152 HydrophobicContact CG2-CG2 3.69Å
68	E	91.8	Very high	84.7	Confident	10 Å²	10	43 Å²	43	5%	0.047	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141	168.2	-73.3	165.7	-154.8	0	0	109.2	V53 R54 R56 R66 W75 G76 L77	V53-E68 CarbonylContact C-O 3.54Å; V53-E68 WeakPolarHBondContact CA-O 3.48Å; R54-E68 HydrophobicContact CG-CB 3.77Å; R54-E68 IonicContact CZ-OE2 2.69Å; R54-E68 PolarHBondContact N-O 2.87Å; R54-E68 IonicContact NE-OE2 3.42Å; R54-E68 PolarHBondContact NE-OE2 2.72Å; R54-E68 IonicContact NH2-OE2 3.2Å; R54-E68 PolarHBondContact NH2-OE2 3.04Å; R54-E68 PolarHBondContact O-N 3.08Å; R56-E68 WeakPolarHBondContact CB-OE1 3.08Å; R56-E68 WeakPolarHBondContact CG-OE2 3.15Å; R66-E68 IonicContact CZ-OE1 2.63Å; R66-E68 IonicContact NE-OE1 3.73Å; R66-E68 PolarHBondContact NE-OE1 2.94Å; R66-E68 VanDerWaalsContact NE-OE1 3.11Å; R66-E68 IonicContact NH2-OE1 2.68Å; R66-E68 PolarHBondContact NH2-OE1 2.92Å; E68-W75 HydrophobicContact CB-CE3 4Å; E68-W75 WeakPolarHBondContact O-CZ3 3.11Å; E68-G76 CarbonylContact C-O 3.21Å; E68-G76 WeakPolarHBondContact CA-O 3.36Å; E68-L77 HydrophobicContact CG-CD2 4.01Å
69	V	89.4	Confident	85.2	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.2	-176.1	-61.2	0	0	0	0	109.7	L52 V53 V67 W75 G76 I78 N119 L120 V132 F133	L52-V69 WeakPolarHBondContact O-CA 3.31Å; V53-V69 HydrophobicContact CB-CG1 4.47Å; V53-V69 HydrophobicContact CG1-CG1 4.14Å; V53-V69 HydrophobicContact CG2-CG1 4.02Å; V67-V69 HydrophobicContact CG1-CG1 4.06Å; V69-W75 VanDerWaalsContact C-CE3 3.48Å; V69-G76 PolarHBondContact N-O 3.22Å; V69-G76 PolarHBondContact O-N 3.04Å; V69-G76 VanDerWaalsContact O-N 3.09Å; V69-I78 HydrophobicContact CG1-CD1 3.76Å; V69-I78 HydrophobicContact CG1-CG1 3.86Å; V69-I78 HydrophobicContact CG2-CG1 4.14Å; V69-N119 HydrophobicContact CG2-CB 3.69Å; V69-N119 PolarHBondContact O-ND2 2.62Å; V69-L120 HydrophobicContact CB-CD1 4.31Å; V69-L120 HydrophobicContact CG1-CD1 4.12Å; V69-L120 HydrophobicContact CG2-CD1 3.83Å; V69-L120 HydrophobicContact CG2-CG 3.74Å; V69-V132 HydrophobicContact CG1-CG1 4.47Å; V69-F133 HydrophobicContact CB-CZ 4.19Å
70	M	82.2	Confident	85.8	Confident	31 Å²	31	32.6 Å²	32.6	15%	0.153	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133	179.8	-169.5	69.2	102.7	0	0	110.3	L52 G72 W75 F133	L52-M70 PolarHBondContact O-N 3.36Å; M70-G72 VanDerWaalsContact CG-O 3.26Å; M70-G72 WeakPolarHBondContact CG-O 3.38Å; M70-W75 HydrophobicContact CB-CE3 4.32Å; M70-W75 HydrophobicContact CB-CH2 4.03Å; M70-W75 HydrophobicContact CB-CZ2 4.29Å; M70-W75 HydrophobicContact CB-CZ3 4.04Å; M70-W75 HydrophobicContact CE-CD2 4.37Å; M70-W75 HydrophobicContact CE-CZ2 3.71Å; M70-W75 HydrophobicContact SD-CD2 4.1Å; M70-W75 HydrophobicContact SD-CG 4.26Å; M70-W75 HydrophobicContact SD-CZ2 4.29Å; M70-F133 WeakPolarHBondContact O-CZ 3.46Å
71	S	70.7	Confident	85.9	Confident	52 Å²	52	34 Å²	34	36%	0.364	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	114	171.1	-171.7	0	0	0	0	109.1	D73 L74 N119	S71-D73 PolarHBondContact O-N 3.35Å; S71-L74 PolarHBondContact N-O 3.03Å; S71-L74 PolarHBondContact O-N 3.1Å; S71-N119 WeakPolarHBondContact CB-ND2 3.42Å; S71-N119 PolarHBondContact N-ND2 3.12Å
72	G	67.8	Low	85.7	Confident	52 Å²	52	34.1 Å²	34.1	54%	0.536	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	-128.7	-158.1	0	0	0	0	0	109.2	M70	M70-G72 VanDerWaalsContact CG-O 3.26Å; M70-G72 WeakPolarHBondContact CG-O 3.38Å
73	D	64.7	Low	85.8	Confident	88 Å²	88	33.6 Å²	33.6	47%	0.471	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	16.4	176.8	-67.3	-74.4	0	0	0	113.2	S71 P936	S71-D73 PolarHBondContact O-N 3.35Å; D73-P936 HydrophobicContact CB-CB 4.15Å; D73-P936 WeakPolarHBondContact OD2-CB 3.48Å
74	L	69.8	Low	85.9	Confident	88 Å²	88	35.4 Å²	35.4	46%	0.461	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.2	177.7	-69.1	170.2	0	0	0	111.8	S71 N119	S71-L74 PolarHBondContact N-O 3.03Å; S71-L74 PolarHBondContact O-N 3.1Å; L74-N119 PolarHBondContact O-ND2 2.85Å
75	W	84.6	Confident	85.9	Confident	52 Å²	52	35.9 Å²	35.9	20%	0.197	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	135.4	166	-71.6	99.5	0	0	0	110.4	Q51 R54 E68 V69 M70	Q51-W75 HydrophobicContact CB-CH2 3.61Å; Q51-W75 HydrophobicContact CB-CZ2 3.87Å; Q51-W75 WeakPolarHBondContact O-CH2 3.46Å; Q51-W75 VanDerWaalsContact O-CZ2 3.29Å; Q51-W75 WeakPolarHBondContact O-CZ2 3.43Å; R54-W75 HydrophobicContact CB-CH2 4.15Å; R54-W75 HydrophobicContact CB-CZ3 4.12Å; R54-W75 VanDerWaalsContact CD-CE3 3.49Å; R54-W75 VanDerWaalsContact CD-CZ3 3.47Å; R54-W75 HydrophobicContact CG-CD2 4.45Å; R54-W75 HydrophobicContact CG-CE3 3.83Å; R54-W75 HydrophobicContact CG-CH2 3.92Å; R54-W75 HydrophobicContact CG-CZ3 3.53Å; R54-W75 VanDerWaalsContact CZ-CG 3.47Å; R54-W75 VanDerWaalsContact NH1-CD1 3.34Å; R54-W75 VanDerWaalsContact NH1-NE1 3.19Å; E68-W75 HydrophobicContact CB-CE3 4Å; E68-W75 WeakPolarHBondContact O-CZ3 3.11Å; V69-W75 VanDerWaalsContact C-CE3 3.48Å; M70-W75 HydrophobicContact CB-CE3 4.32Å; M70-W75 HydrophobicContact CB-CH2 4.03Å; M70-W75 HydrophobicContact CB-CZ2 4.29Å; M70-W75 HydrophobicContact CB-CZ3 4.04Å; M70-W75 HydrophobicContact CE-CD2 4.37Å; M70-W75 HydrophobicContact CE-CZ2 3.71Å; M70-W75 HydrophobicContact SD-CD2 4.1Å; M70-W75 HydrophobicContact SD-CG 4.26Å; M70-W75 HydrophobicContact SD-CZ2 4.29Å
76	G	86.5	Confident	86.1	Confident	2 Å²	2	38.8 Å²	38.8	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	170.6	179.9	0	0	0	0	0	111.4	E68 V69 H117 N119	E68-G76 CarbonylContact C-O 3.21Å; E68-G76 WeakPolarHBondContact CA-O 3.36Å; V69-G76 PolarHBondContact N-O 3.22Å; V69-G76 PolarHBondContact O-N 3.04Å; V69-G76 VanDerWaalsContact O-N 3.09Å; G76-H117 CarbonylContact C-O 3.58Å; G76-H117 WeakPolarHBondContact CA-O 3.22Å; G76-N119 WeakPolarHBondContact CA-ND2 3.19Å; G76-N119 PolarHBondContact N-ND2 3.22Å
77	L	91.6	Very high	86.2	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	162.5	-169.9	-54.7	169.1	0	0	0	111.7	R66 E68 P113 S115 H117 F118 N119 L120	R66-L77 HydrophobicContact CG-CD2 4.33Å; E68-L77 HydrophobicContact CG-CD2 4.01Å; L77-P113 HydrophobicContact CD1-CB 3.93Å; L77-P113 HydrophobicContact CD1-CG 3.72Å; L77-P113 HydrophobicContact CD2-CB 3.75Å; L77-P113 HydrophobicContact CD2-CG 4.38Å; L77-P113 HydrophobicContact CG-CB 4.35Å; L77-S115 WeakPolarHBondContact CD1-O 3.48Å; L77-H117 PolarHBondContact N-O 3.07Å; L77-F118 HydrophobicContact CB-CD1 3.56Å; L77-F118 HydrophobicContact CB-CE1 3.77Å; L77-F118 HydrophobicContact CB-CG 4.37Å; L77-F118 HydrophobicContact CD1-CE1 4.22Å; L77-F118 HydrophobicContact CD1-CZ 4.43Å; L77-F118 CarbonylContact O-C 3.18Å; L77-F118 WeakPolarHBondContact O-CA 3.25Å; L77-N119 PolarHBondContact O-N 3.06Å; L77-L120 PolarHBondContact O-N 2.64Å
78	I	91.3	Very high	86.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	131.9	163.2	-50.7	-174.1	0	0	0	108.6	V67 V69 G80 F83 I91 L120 L123 V132 V150	V67-I78 HydrophobicContact CB-CD1 4.32Å; V67-I78 HydrophobicContact CG1-CD1 3.67Å; V67-I78 HydrophobicContact CG1-CG1 4.21Å; V69-I78 HydrophobicContact CG1-CD1 3.76Å; V69-I78 HydrophobicContact CG1-CG1 3.86Å; V69-I78 HydrophobicContact CG2-CG1 4.14Å; I78-G80 PolarHBondContact O-N 3.31Å; I78-F83 HydrophobicContact CD1-CE2 4.41Å; I78-F83 HydrophobicContact CG2-CD2 3.9Å; I78-F83 HydrophobicContact CG2-CE2 3.97Å; I78-I91 HydrophobicContact CD1-CD1 3.51Å; I78-I91 HydrophobicContact CD1-CG1 4.41Å; I78-L120 HydrophobicContact CD1-CD1 4.04Å; I78-L120 HydrophobicContact CG1-CB 4.26Å; I78-L120 HydrophobicContact CG1-CD1 4.11Å; I78-L120 HydrophobicContact CG2-CB 4.15Å; I78-L123 HydrophobicContact CD1-CD2 4.39Å; I78-L123 HydrophobicContact CG2-CD2 4.15Å; I78-V132 HydrophobicContact CD1-CG2 4.45Å; I78-V150 HydrophobicContact CB-CG2 4.39Å; I78-V150 HydrophobicContact CG2-CG2 4.45Å
79	C	90.4	Very high	86.5	Confident	4 Å²	4	39.4 Å²	39.4	3%	0.027	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-62.1	127.4	174.1	-175.4	0	0	0	0	110.4	D81 F118 L120 I121 C143	C79-D81 VanDerWaalsContact C-N 3.25Å; C79-D81 PolarHBondContact O-N 3.36Å; C79-D81 VanDerWaalsContact SG-CG 3.58Å; C79-F118 HydrophobicContact CB-CD1 4.12Å; C79-L120 WeakPolarHBondContact CB-O 2.97Å; C79-L120 PolarHBondContact N-O 3.32Å; C79-I121 HydrophobicContact CB-CB 4.32Å; C79-I121 HydrophobicContact CB-CG1 4.23Å; C79-I121 HydrophobicContact CB-CG2 4.25Å; C79-C143 WeakPolarHBondContact CA-SG 3.37Å; C79-C143 HydrophobicContact CB-CB 4.07Å; C79-C143 WeakPolarHBondContact CB-SG 3.44Å; C79-C143 WeakPolarHBondContact SG-CA 3.44Å; C79-C143 WeakPolarHBondContact SG-CB 3.34Å; C79-C143 CovalentContact SG-SG 2.03Å; C79-C143 PolarHBondContact SG-SG 2.81Å
80	G	90	Very high	86.8	Confident	12 Å²	12	39.4 Å²	39.4	12%	0.124	22%	0.221	C	C	.	.			trans	-72.2	-13.4	179.7	0	0	0	0	0	115.2	I78 Q82 F83 R148	I78-G80 PolarHBondContact O-N 3.31Å; G80-Q82 PolarHBondContact O-N 2.87Å; G80-F83 WeakPolarHBondContact O-CB 3.41Å; G80-F83 PolarHBondContact O-N 2.85Å; G80-R148 PolarHBondContact N-O 2.95Å
81	D	87.8	Confident	87.4	Confident	44 Å²	44	38 Å²	38	24%	0.235	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	124	-179.5	-64.3	14.6	0	0	0	111.2	C79 F83 S144 S147	C79-D81 VanDerWaalsContact C-N 3.25Å; C79-D81 PolarHBondContact O-N 3.36Å; C79-D81 VanDerWaalsContact SG-CG 3.58Å; D81-F83 PolarHBondContact O-N 2.71Å; D81-S144 WeakPolarHBondContact OD2-CB 3Å; D81-S144 PolarHBondContact OD2-N 2.85Å; D81-S144 PolarHBondContact OD2-OG 3.28Å; D81-S147 WeakPolarHBondContact OD1-CB 3.34Å
82	Q	85.3	Confident	88.6	Confident	187 Å²	187	35.5 Å²	35.5	87%	0.874	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	9.9	-179.4	-53.7	-173	-47.2	0	0	115.6	G80 S84	G80-Q82 PolarHBondContact O-N 2.87Å; Q82-S84 PolarHBondContact O-N 3.26Å
83	F	91.7	Very high	89.9	Confident	14 Å²	14	38 Å²	38	6%	0.061	19%	0.19	C	C	.	.			trans	-64.4	134.7	177.8	-169.9	-80.4	0	0	0	110.7	I78 G80 D81 E87 A88 I91 F104 L123 V150	I78-F83 HydrophobicContact CD1-CE2 4.41Å; I78-F83 HydrophobicContact CG2-CD2 3.9Å; I78-F83 HydrophobicContact CG2-CE2 3.97Å; G80-F83 WeakPolarHBondContact O-CB 3.41Å; G80-F83 PolarHBondContact O-N 2.85Å; D81-F83 PolarHBondContact O-N 2.71Å; F83-E87 HydrophobicContact CD1-CB 4.38Å; F83-E87 HydrophobicContact CD2-CB 3.74Å; F83-E87 HydrophobicContact CD2-CG 4.06Å; F83-E87 HydrophobicContact CE1-CB 3.96Å; F83-E87 HydrophobicContact CE2-CB 3.26Å; F83-E87 HydrophobicContact CE2-CG 4.03Å; F83-E87 HydrophobicContact CG-CB 4.29Å; F83-E87 HydrophobicContact CZ-CB 3.37Å; F83-A88 HydrophobicContact CE1-CB 3.96Å; F83-A88 HydrophobicContact CZ-CB 4.32Å; F83-I91 HydrophobicContact CE2-CD1 3.88Å; F83-I91 HydrophobicContact CZ-CD1 3.75Å; F83-F104 AromaticContact CD1-CD2 3.53Å; F83-F104 HydrophobicContact CD1-CD2 3.53Å; F83-F104 AromaticContact CD1-CE2 3.73Å; F83-F104 HydrophobicContact CD1-CE2 3.73Å; F83-F104 HydrophobicContact CD1-CG 4.02Å; F83-F104 HydrophobicContact CD1-CZ 4.38Å; F83-F104 HydrophobicContact CE1-CB 4.14Å; F83-F104 AromaticContact CE1-CD2 3.89Å; F83-F104 HydrophobicContact CE1-CD2 3.89Å; F83-F104 HydrophobicContact CE1-CE2 4.47Å; F83-F104 AromaticContact CE1-CG 3.95Å; F83-F104 HydrophobicContact CE1-CG 3.95Å; F83-F104 VanDerWaalsContact O-CE2 3.32Å; F83-F104 WeakPolarHBondContact O-CE2 3.18Å; F83-F104 VanDerWaalsContact O-CZ 3.24Å; F83-F104 WeakPolarHBondContact O-CZ 3.37Å; F83-L123 HydrophobicContact CE2-CD2 4.38Å; F83-V150 HydrophobicContact CB-CG2 4.08Å; F83-V150 HydrophobicContact CD1-CG1 3.81Å; F83-V150 HydrophobicContact CD1-CG2 4.15Å; F83-V150 HydrophobicContact CD2-CB 4.46Å; F83-V150 HydrophobicContact CD2-CG1 4.22Å; F83-V150 HydrophobicContact CD2-CG2 3.69Å; F83-V150 HydrophobicContact CE1-CG1 3.5Å; F83-V150 VanDerWaalsContact CE1-CG1 3.5Å; F83-V150 HydrophobicContact CE2-CB 4.4Å; F83-V150 HydrophobicContact CE2-CG1 3.92Å; F83-V150 HydrophobicContact CE2-CG2 4.11Å; F83-V150 HydrophobicContact CG-CG1 4.16Å; F83-V150 HydrophobicContact CG-CG2 3.7Å; F83-V150 HydrophobicContact CZ-CG1 3.57Å
84	S	93.8	Very high	91.2	Very high	38 Å²	38	35.5 Å²	35.5	27%	0.266	18%	0.176	S	C	.	.			trans	-127	-179.8	-174.7	87.3	0	0	0	0	112.7	Q82 N86 E87 A88 F104	Q82-S84 PolarHBondContact O-N 3.26Å; S84-N86 PolarHBondContact O-N 3.01Å; S84-N86 PolarHBondContact OG-N 2.8Å; S84-N86 VanDerWaalsContact OG-N 3.12Å; S84-E87 VanDerWaalsContact CA-OE2 3.25Å; S84-E87 WeakPolarHBondContact CA-OE2 2.96Å; S84-E87 WeakPolarHBondContact CB-OE2 3.38Å; S84-E87 PolarHBondContact N-OE2 3.41Å; S84-E87 PolarHBondContact O-N 2.93Å; S84-E87 PolarHBondContact OG-OE2 3.19Å; S84-A88 PolarHBondContact O-N 2.85Å; S84-F104 VanDerWaalsContact C-CE1 3.44Å
85	I	95.1	Very high	92.2	Very high	68 Å²	68	32.3 Å²	32.3	35%	0.349	16%	0.159	S	C	.	.	H	α-helix	trans	-64.8	-20.7	175.4	-162	65.5	0	0	0	112.3	A88 N89 A101 F104	I85-A88 HydrophobicContact CD1-CB 4.29Å; I85-N89 VanDerWaalsContact O-CB 3.29Å; I85-N89 WeakPolarHBondContact O-CB 3.44Å; I85-N89 PolarHBondContact O-N 3.43Å; I85-N89 PolarHBondContact O-ND2 2.81Å; I85-A101 HydrophobicContact CD1-CB 3.93Å; I85-F104 HydrophobicContact CB-CD1 4.48Å; I85-F104 HydrophobicContact CB-CE1 4.3Å; I85-F104 HydrophobicContact CD1-CD1 4.1Å
86	N	95.5	Very high	92.6	Very high	60 Å²	60	30.3 Å²	30.3	32%	0.321	15%	0.154	S	C	.	.	H	α-helix	trans	-70.1	-45.4	178.3	-71.2	-14.1	0	0	0	111.8	S84 A88 N89 V90 C125	S84-N86 PolarHBondContact O-N 3.01Å; S84-N86 PolarHBondContact OG-N 2.8Å; S84-N86 VanDerWaalsContact OG-N 3.12Å; N86-A88 VanDerWaalsContact C-N 3.33Å; N86-N89 WeakPolarHBondContact O-CB 3.04Å; N86-N89 PolarHBondContact O-N 2.89Å; N86-V90 WeakPolarHBondContact O-CG2 3Å; N86-V90 PolarHBondContact O-N 3.02Å; N86-V90 VanDerWaalsContact O-N 3.09Å; N86-C125 HydrophobicContact CB-CB 4.36Å; N86-C125 WeakPolarHBondContact CB-O 3.29Å
87	E	95.3	Very high	92.9	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.023	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-44	174	-64.3	63.8	-137.7	0	0	110.1	F83 S84 N89 V90 I91 L123 S124 C125	F83-E87 HydrophobicContact CD1-CB 4.38Å; F83-E87 HydrophobicContact CD2-CB 3.74Å; F83-E87 HydrophobicContact CD2-CG 4.06Å; F83-E87 HydrophobicContact CE1-CB 3.96Å; F83-E87 HydrophobicContact CE2-CB 3.26Å; F83-E87 HydrophobicContact CE2-CG 4.03Å; F83-E87 HydrophobicContact CG-CB 4.29Å; F83-E87 HydrophobicContact CZ-CB 3.37Å; S84-E87 VanDerWaalsContact CA-OE2 3.25Å; S84-E87 WeakPolarHBondContact CA-OE2 2.96Å; S84-E87 WeakPolarHBondContact CB-OE2 3.38Å; S84-E87 PolarHBondContact N-OE2 3.41Å; S84-E87 PolarHBondContact O-N 2.93Å; S84-E87 PolarHBondContact OG-OE2 3.19Å; E87-N89 VanDerWaalsContact C-N 3.32Å; E87-N89 PolarHBondContact O-N 2.03Å; E87-V90 PolarHBondContact O-N 3.02Å; E87-I91 WeakPolarHBondContact O-CD1 3.24Å; E87-I91 WeakPolarHBondContact O-CG1 3.04Å; E87-I91 PolarHBondContact O-N 3.32Å; E87-L123 HydrophobicContact CB-CD2 4.06Å; E87-L123 HydrophobicContact CG-CB 4.41Å; E87-L123 HydrophobicContact CG-CD2 3.74Å; E87-L123 HydrophobicContact CG-CG 3.91Å; E87-S124 WeakPolarHBondContact OE1-CA 3.45Å; E87-C125 HydrophobicContact CG-CB 4.16Å; E87-C125 PolarHBondContact OE1-N 2.84Å
88	A	96.4	Very high	92.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-43.4	175.1	0	0	0	0	0	112.2	F83 S84 I85 N86 I91 C92 A101 F104 V152	F83-A88 HydrophobicContact CE1-CB 3.96Å; F83-A88 HydrophobicContact CZ-CB 4.32Å; S84-A88 PolarHBondContact O-N 2.85Å; I85-A88 HydrophobicContact CD1-CB 4.29Å; N86-A88 VanDerWaalsContact C-N 3.33Å; A88-I91 PolarHBondContact O-N 2.03Å; A88-C92 WeakPolarHBondContact O-CB 3.44Å; A88-C92 PolarHBondContact O-N 2.76Å; A88-C92 PolarHBondContact O-SG 2.76Å; A88-A101 HydrophobicContact CB-CB 3.45Å; A88-A101 VanDerWaalsContact CB-CB 3.45Å; A88-F104 HydrophobicContact CB-CB 4.04Å; A88-F104 HydrophobicContact CB-CD1 4.35Å; A88-F104 HydrophobicContact CB-CG 4.46Å; A88-V152 HydrophobicContact CB-CG1 4Å
89	N	96.4	Very high	92.9	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.139	18%	0.181	C	C	.	.	H	α-helix	trans	-62.1	-43.4	177.3	-81	-34.8	0	0	0	112.5	I85 N86 E87 R93 G100 A101	I85-N89 VanDerWaalsContact O-CB 3.29Å; I85-N89 WeakPolarHBondContact O-CB 3.44Å; I85-N89 PolarHBondContact O-N 3.43Å; I85-N89 PolarHBondContact O-ND2 2.81Å; N86-N89 WeakPolarHBondContact O-CB 3.04Å; N86-N89 PolarHBondContact O-N 2.89Å; E87-N89 VanDerWaalsContact C-N 3.32Å; E87-N89 PolarHBondContact O-N 2.03Å; N89-R93 WeakPolarHBondContact O-CB 3.47Å; N89-R93 VanDerWaalsContact O-CG 3.31Å; N89-R93 WeakPolarHBondContact O-CG 3.35Å; N89-R93 PolarHBondContact O-N 2.6Å; N89-G100 WeakPolarHBondContact OD1-CA 3.44Å; N89-A101 PolarHBondContact OD1-N 2.86Å
90	V	95.1	Very high	93.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-45.6	176.9	174	0	0	0	0	110.7	N86 E87 R93 Q94 C125 E129 V132	N86-V90 WeakPolarHBondContact O-CG2 3Å; N86-V90 PolarHBondContact O-N 3.02Å; N86-V90 VanDerWaalsContact O-N 3.09Å; E87-V90 PolarHBondContact O-N 3.02Å; V90-R93 PolarHBondContact O-N 2.71Å; V90-Q94 WeakPolarHBondContact O-CB 3.37Å; V90-Q94 PolarHBondContact O-N 2.74Å; V90-C125 HydrophobicContact CG2-CB 3.96Å; V90-E129 HydrophobicContact CG1-CB 4Å; V90-E129 HydrophobicContact CG2-CB 3.93Å; V90-V132 HydrophobicContact CG1-CB 4.41Å
91	I	95.5	Very high	93.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-50.5	178	-73.6	156	0	0	0	111.2	V53 V67 I78 F83 E87 A88 R93 Q94 L95 V132 V152	V53-I91 HydrophobicContact CG1-CG2 4.03Å; V67-I91 HydrophobicContact CG1-CD1 4.2Å; V67-I91 HydrophobicContact CG1-CG2 4.05Å; V67-I91 HydrophobicContact CG2-CG2 4.11Å; I78-I91 HydrophobicContact CD1-CD1 3.51Å; I78-I91 HydrophobicContact CD1-CG1 4.41Å; F83-I91 HydrophobicContact CE2-CD1 3.88Å; F83-I91 HydrophobicContact CZ-CD1 3.75Å; E87-I91 WeakPolarHBondContact O-CD1 3.24Å; E87-I91 WeakPolarHBondContact O-CG1 3.04Å; E87-I91 PolarHBondContact O-N 3.32Å; A88-I91 PolarHBondContact O-N 2.03Å; I91-R93 PolarHBondContact O-N 2.92Å; I91-Q94 PolarHBondContact O-N 3.37Å; I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 VanDerWaalsContact O-CG 3.31Å; I91-L95 WeakPolarHBondContact O-CG 3.42Å; I91-L95 PolarHBondContact O-N 3.16Å; I91-V132 HydrophobicContact CD1-CG2 4.2Å; I91-V132 HydrophobicContact CG1-CB 4.21Å; I91-V132 HydrophobicContact CG1-CG2 3.86Å; I91-V152 HydrophobicContact CG2-CG2 4.23Å
92	C	96.1	Very high	93.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.3	-42	179.6	-75	0	0	0	0	112.1	A88 L95 G96 F97 G100 A101 C154	A88-C92 WeakPolarHBondContact O-CB 3.44Å; A88-C92 PolarHBondContact O-N 2.76Å; A88-C92 PolarHBondContact O-SG 2.76Å; C92-L95 CarbonylContact O-C 3.47Å; C92-L95 PolarHBondContact O-N 3.27Å; C92-G96 PolarHBondContact O-N 3.01Å; C92-F97 CarbonylContact C-O 3.6Å; C92-F97 HydrophobicContact CB-CB 4.11Å; C92-F97 WeakPolarHBondContact O-CA 3.15Å; C92-F97 WeakPolarHBondContact O-CB 3.23Å; C92-F97 PolarHBondContact O-N 2.83Å; C92-G100 VanDerWaalsContact CB-C 3.43Å; C92-G100 WeakPolarHBondContact CB-O 3.27Å; C92-A101 HydrophobicContact CB-CB 4.48Å; C92-C154 WeakPolarHBondContact CA-SG 3.09Å; C92-C154 HydrophobicContact CB-CB 3.72Å; C92-C154 WeakPolarHBondContact CB-SG 2.99Å; C92-C154 WeakPolarHBondContact SG-CA 3.38Å; C92-C154 WeakPolarHBondContact SG-CB 3.28Å; C92-C154 CovalentContact SG-SG 2.04Å; C92-C154 PolarHBondContact SG-SG 3.13Å
93	R	94	Very high	94.2	Very high	105 Å²	105	34.6 Å²	34.6	40%	0.396	18%	0.175	S	C	.	.	H	α-helix	trans	-65.1	-39.4	175.4	-73.1	178.8	-171.2	144.1	7.6	112.9	N89 V90 I91 L95 G96 F97 E98 G127	N89-R93 WeakPolarHBondContact O-CB 3.47Å; N89-R93 VanDerWaalsContact O-CG 3.31Å; N89-R93 WeakPolarHBondContact O-CG 3.35Å; N89-R93 PolarHBondContact O-N 2.6Å; V90-R93 PolarHBondContact O-N 2.71Å; I91-R93 PolarHBondContact O-N 2.92Å; R93-L95 PolarHBondContact O-N 3.44Å; R93-G96 PolarHBondContact O-N 2.9Å; R93-G96 VanDerWaalsContact O-N 3.08Å; R93-F97 VanDerWaalsContact CA-O 3.32Å; R93-F97 WeakPolarHBondContact CA-O 3.05Å; R93-F97 WeakPolarHBondContact CG-O 3.06Å; R93-F97 PolarHBondContact N-O 2.78Å; R93-E98 WeakPolarHBondContact CG-O 3.26Å; R93-E98 PolarHBondContact NE-O 2.83Å; R93-G127 PolarHBondContact NH1-O 2.55Å
94	Q	92.3	Very high	94.3	Very high	36 Å²	36	36.3 Å²	36.3	17%	0.168	18%	0.182	C	C	.	.	H	α-helix	trans	-63.3	-32.5	174.4	-178.5	172.7	0.4	0	0	112.2	V90 I91 G96 N131	V90-Q94 WeakPolarHBondContact O-CB 3.37Å; V90-Q94 PolarHBondContact O-N 2.74Å; I91-Q94 PolarHBondContact O-N 3.37Å; Q94-G96 VanDerWaalsContact C-N 3.26Å; Q94-G96 PolarHBondContact O-N 3.34Å; Q94-N131 VanDerWaalsContact NE2-CG 3.28Å; Q94-N131 PolarHBondContact NE2-ND2 2.78Å; Q94-N131 PolarHBondContact NE2-OD1 3.38Å; Q94-N131 VanDerWaalsContact NE2-OD1 3.11Å; Q94-N131 PolarHBondContact OE1-OD1 2.83Å
95	L	92.4	Very high	94.3	Very high	21 Å²	21	35.6 Å²	35.6	11%	0.11	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	3.3	174.2	-68.6	166.2	0	0	0	113.9	V53 L55 I91 C92 R93 F97	V53-L95 HydrophobicContact CB-CD2 4.41Å; V53-L95 HydrophobicContact CG1-CD1 4.35Å; V53-L95 HydrophobicContact CG1-CD2 4.29Å; V53-L95 HydrophobicContact CG1-CG 4.33Å; L55-L95 HydrophobicContact CD1-CD1 4.06Å; L55-L95 HydrophobicContact CD2-CD1 3.71Å; L55-L95 HydrophobicContact CG-CD1 3.69Å; I91-L95 HydrophobicContact CG2-CD1 3.8Å; I91-L95 VanDerWaalsContact O-CG 3.31Å; I91-L95 WeakPolarHBondContact O-CG 3.42Å; I91-L95 PolarHBondContact O-N 3.16Å; C92-L95 CarbonylContact O-C 3.47Å; C92-L95 PolarHBondContact O-N 3.27Å; R93-L95 PolarHBondContact O-N 3.44Å; L95-F97 HydrophobicContact CB-CD2 3.99Å; L95-F97 HydrophobicContact CB-CE2 4.17Å
96	G	91.6	Very high	94.1	Very high	10 Å²	10	34.8 Å²	34.8	10%	0.103	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	2.1	178.1	0	0	0	0	0	116	C92 R93 Q94 E98 N157	C92-G96 PolarHBondContact O-N 3.01Å; R93-G96 PolarHBondContact O-N 2.9Å; R93-G96 VanDerWaalsContact O-N 3.08Å; Q94-G96 VanDerWaalsContact C-N 3.26Å; Q94-G96 PolarHBondContact O-N 3.34Å; G96-E98 PolarHBondContact O-N 2.81Å; G96-N157 PolarHBondContact O-ND2 3.16Å
97	F	93.6	Very high	93.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	18%	0.181	C	C	.	.			trans	-90.6	87.2	174.7	-57.2	-89	0	0	0	109.9	F62 C92 R93 L95 R99 G100 C154 N157 F209	F62-F97 HydrophobicContact CD2-CZ 4.43Å; F62-F97 AromaticContact CE1-CE1 3.8Å; F62-F97 HydrophobicContact CE1-CE1 3.8Å; F62-F97 AromaticContact CE1-CZ 3.95Å; F62-F97 HydrophobicContact CE1-CZ 3.95Å; F62-F97 HydrophobicContact CE2-CE1 4.37Å; F62-F97 AromaticContact CE2-CZ 3.68Å; F62-F97 HydrophobicContact CE2-CZ 3.68Å; F62-F97 AromaticContact CZ-CE1 3.67Å; F62-F97 HydrophobicContact CZ-CE1 3.67Å; F62-F97 AromaticContact CZ-CZ 3.4Å; F62-F97 HydrophobicContact CZ-CZ 3.4Å; C92-F97 CarbonylContact C-O 3.6Å; C92-F97 HydrophobicContact CB-CB 4.11Å; C92-F97 WeakPolarHBondContact O-CA 3.15Å; C92-F97 WeakPolarHBondContact O-CB 3.23Å; C92-F97 PolarHBondContact O-N 2.83Å; R93-F97 VanDerWaalsContact CA-O 3.32Å; R93-F97 WeakPolarHBondContact CA-O 3.05Å; R93-F97 WeakPolarHBondContact CG-O 3.06Å; R93-F97 PolarHBondContact N-O 2.78Å; L95-F97 HydrophobicContact CB-CD2 3.99Å; L95-F97 HydrophobicContact CB-CE2 4.17Å; F97-R99 PolarHBondContact O-N 2.04Å; F97-R99 VanDerWaalsContact O-N 3.09Å; F97-G100 PolarHBondContact O-N 3.38Å; F97-C154 HydrophobicContact CB-CB 3.81Å; F97-C154 HydrophobicContact CD1-CB 3.75Å; F97-C154 HydrophobicContact CD2-CB 3.5Å; F97-C154 VanDerWaalsContact CD2-CB 3.5Å; F97-C154 HydrophobicContact CE1-CB 4.18Å; F97-C154 HydrophobicContact CE2-CB 3.96Å; F97-C154 HydrophobicContact CG-CB 3.39Å; F97-C154 HydrophobicContact CZ-CB 4.28Å; F97-N157 WeakPolarHBondContact CA-OD1 3.49Å; F97-F209 HydrophobicContact CE1-CE2 4.39Å; F97-F209 HydrophobicContact CZ-CE2 4.35Å
98	E	91.2	Very high	93	Very high	86 Å²	86	39.5 Å²	39.5	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.9	-173.3	-59	179.2	168	0	0	112.7	R93 G96 G100 N157 R170	R93-E98 WeakPolarHBondContact CG-O 3.26Å; R93-E98 PolarHBondContact NE-O 2.83Å; G96-E98 PolarHBondContact O-N 2.81Å; E98-G100 PolarHBondContact O-N 3.49Å; E98-N157 PolarHBondContact N-OD1 3.4Å; E98-R170 VanDerWaalsContact OE1-CA 3.25Å; E98-R170 WeakPolarHBondContact OE1-CA 3.47Å; E98-R170 WeakPolarHBondContact OE1-CG 3.48Å
99	R	92.1	Very high	92.4	Very high	50 Å²	50	44.6 Å²	44.6	19%	0.189	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.7	-179.7	-59.1	174	78.6	-160.2	19.7	113.9	F97 K155 Q156 Y158 D373	F97-R99 PolarHBondContact O-N 2.04Å; F97-R99 VanDerWaalsContact O-N 3.09Å; R99-K155 HydrophobicContact CB-CB 4.14Å; R99-K155 HydrophobicContact CB-CD 4.24Å; R99-K155 HydrophobicContact CB-CG 4.34Å; R99-Q156 WeakPolarHBondContact CD-O 3.13Å; R99-Q156 PolarHBondContact NH1-O 3.43Å; R99-Y158 HydrophobicContact CG-CE2 4.09Å; R99-D373 IonicContact CZ-OD1 2.84Å; R99-D373 IonicContact CZ-OD2 2.81Å; R99-D373 IonicContact NH1-OD1 2.63Å; R99-D373 PolarHBondContact NH1-OD1 3.12Å; R99-D373 IonicContact NH1-OD2 3.74Å; R99-D373 PolarHBondContact NH1-OD2 3.32Å; R99-D373 IonicContact NH2-OD1 3.02Å; R99-D373 PolarHBondContact NH2-OD1 2.92Å; R99-D373 IonicContact NH2-OD2 3.58Å; R99-D373 PolarHBondContact NH2-OD2 2.68Å
100	G	94	Very high	91.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.			trans	81.5	-154.1	177.8	0	0	0	0	0	113.9	N89 C92 F97 E98 K155	N89-G100 WeakPolarHBondContact OD1-CA 3.44Å; C92-G100 VanDerWaalsContact CB-C 3.43Å; C92-G100 WeakPolarHBondContact CB-O 3.27Å; F97-G100 PolarHBondContact O-N 3.38Å; E98-G100 PolarHBondContact O-N 3.49Å; G100-K155 PolarHBondContact O-N 2.99Å
101	A	95.9	Very high	91.1	Very high	13 Å²	13	45 Å²	45	11%	0.107	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	139.1	179.5	0	0	0	0	0	111.2	I85 A88 N89 C92	I85-A101 HydrophobicContact CD1-CB 3.93Å; A88-A101 HydrophobicContact CB-CB 3.45Å; A88-A101 VanDerWaalsContact CB-CB 3.45Å; N89-A101 PolarHBondContact OD1-N 2.86Å; C92-A101 HydrophobicContact CB-CB 4.48Å
102	N	94.6	Very high	90.2	Very high	113 Å²	113	49.2 Å²	49.2	60%	0.604	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	-39.9	165.2	-175.8	68.8	0	0	0	110.6	M153 K155	N102-M153 WeakPolarHBondContact CB-O 3.44Å; N102-M153 PolarHBondContact N-O 2.83Å; N102-K155 HydrophobicContact CB-CB 4.3Å
103	N	95.6	Very high	89.3	Confident	79 Å²	79	49.9 Å²	49.9	42%	0.422	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	172.7	173.7	-161.3	8.3	0	0	0	110.6	M153	N103-M153 HydrophobicContact CB-CE 3.89Å; N103-M153 PolarHBondContact N-O 2.83Å; N103-M153 PolarHBondContact O-N 2.64Å
104	F	94.8	Very high	88.1	Confident	51 Å²	51	52.1 Å²	52.1	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	167.1	167.5	72.2	-82.5	0	0	0	110.3	F83 S84 I85 A88 S151 V152	F83-F104 AromaticContact CD1-CD2 3.53Å; F83-F104 HydrophobicContact CD1-CD2 3.53Å; F83-F104 AromaticContact CD1-CE2 3.73Å; F83-F104 HydrophobicContact CD1-CE2 3.73Å; F83-F104 HydrophobicContact CD1-CG 4.02Å; F83-F104 HydrophobicContact CD1-CZ 4.38Å; F83-F104 HydrophobicContact CE1-CB 4.14Å; F83-F104 AromaticContact CE1-CD2 3.89Å; F83-F104 HydrophobicContact CE1-CD2 3.89Å; F83-F104 HydrophobicContact CE1-CE2 4.47Å; F83-F104 AromaticContact CE1-CG 3.95Å; F83-F104 HydrophobicContact CE1-CG 3.95Å; F83-F104 VanDerWaalsContact O-CE2 3.32Å; F83-F104 WeakPolarHBondContact O-CE2 3.18Å; F83-F104 VanDerWaalsContact O-CZ 3.24Å; F83-F104 WeakPolarHBondContact O-CZ 3.37Å; S84-F104 VanDerWaalsContact C-CE1 3.44Å; I85-F104 HydrophobicContact CB-CD1 4.48Å; I85-F104 HydrophobicContact CB-CE1 4.3Å; I85-F104 HydrophobicContact CD1-CD1 4.1Å; A88-F104 HydrophobicContact CB-CB 4.04Å; A88-F104 HydrophobicContact CB-CD1 4.35Å; A88-F104 HydrophobicContact CB-CG 4.46Å; F104-S151 CarbonylContact C-O 3.53Å; F104-S151 WeakPolarHBondContact CA-O 3.46Å; F104-S151 WeakPolarHBondContact CB-O 3.48Å; F104-V152 HydrophobicContact CB-CG1 4.2Å
105	T	93.7	Very high	87.1	Confident	23 Å²	23	53.2 Å²	53.2	14%	0.141	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.8	173.2	-175.1	0	0	0	0	110.9	I107 L109 S151 M153	T105-I107 WeakPolarHBondContact OG1-CB 3.49Å; T105-I107 PolarHBondContact OG1-N 3.02Å; T105-L109 HydrophobicContact CG2-CD1 3.89Å; T105-L109 HydrophobicContact CG2-CG 4.24Å; T105-S151 PolarHBondContact N-O 3.16Å; T105-S151 PolarHBondContact O-N 2.62Å; T105-M153 HydrophobicContact CG2-SD 4.45Å
106	T	90.5	Very high	86.5	Confident	51 Å²	51	61.3 Å²	61.3	31%	0.313	32%	0.321	S	S	.	.	S	Bend	trans	-98.5	5.3	167.4	56.4	0	0	0	0	111.6	R148 V150	T106-R148 WeakPolarHBondContact O-CB 3.42Å; T106-R148 WeakPolarHBondContact O-CD 3.31Å; T106-V150 HydrophobicContact CG2-CG2 4.44Å
107	I	85.7	Confident	86.2	Confident	88 Å²	88	65.6 Å²	65.6	45%	0.451	34%	0.338	S	S	.	.	S	Bend	trans	-80.8	136.3	172.2	-55.1	176.5	0	0	0	108.4	T105 L109	T105-I107 WeakPolarHBondContact OG1-CB 3.49Å; T105-I107 PolarHBondContact OG1-N 3.02Å; I107-L109 HydrophobicContact CB-CD2 4.35Å; I107-L109 HydrophobicContact CB-CG 4.36Å; I107-L109 HydrophobicContact CG2-CD2 3.84Å; I107-L109 HydrophobicContact CG2-CG 4.31Å; I107-L109 PolarHBondContact O-N 2.91Å
108	E	82.2	Confident	85.8	Confident	75 Å²	75	67.5 Å²	67.5	35%	0.35	35%	0.346	S	S	.	.			trans	-74	60.6	-179	-61.7	-174.4	166.2	0	0	112.1	F110	E108-F110 VanDerWaalsContact C-N 3.34Å; E108-F110 PolarHBondContact O-N 2.61Å
109	L	84	Confident	85.5	Confident	108 Å²	108	64 Å²	64	57%	0.565	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.3	-177.8	-64.1	-175.7	0	0	0	113.1	T105 I107 G111	T105-L109 HydrophobicContact CG2-CD1 3.89Å; T105-L109 HydrophobicContact CG2-CG 4.24Å; I107-L109 HydrophobicContact CB-CD2 4.35Å; I107-L109 HydrophobicContact CB-CG 4.36Å; I107-L109 HydrophobicContact CG2-CD2 3.84Å; I107-L109 HydrophobicContact CG2-CG 4.31Å; I107-L109 PolarHBondContact O-N 2.91Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.15Å
110	F	84.9	Confident	85.3	Confident	18 Å²	18	61.6 Å²	61.6	8%	0.079	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	26.1	-174.8	-53.6	-76.6	0	0	0	112.6	G57 I58 R60 E64 E108	G57-F110 CarbonylContact C-O 3.54Å; G57-F110 WeakPolarHBondContact CA-O 3.31Å; I58-F110 PolarHBondContact N-O 3.44Å; R60-F110 HydrophobicContact CB-CD1 3.61Å; R60-F110 HydrophobicContact CB-CE1 3.86Å; E64-F110 HydrophobicContact CB-CE1 4.15Å; E64-F110 HydrophobicContact CB-CZ 3.91Å; E108-F110 VanDerWaalsContact C-N 3.34Å; E108-F110 PolarHBondContact O-N 2.61Å
111	G	78.4	Confident	84.9	Confident	15 Å²	15	63.7 Å²	63.7	16%	0.155	33%	0.332	C	S	.	.			trans	78.6	169.6	-177.1	0	0	0	0	0	114.1	R66 L109	R66-G111 PolarHBondContact NH1-O 2.96Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.15Å
112	P	77.4	Confident	84.2	Confident	89 Å²	89	64.3 Å²	64.3	58%	0.578	34%	0.339	S	S	*	.			trans	-66.7	154.8	-179.1	29.5	-35.7	0	0	0	111.5	R66	R66-P112 VanDerWaalsContact NH1-C 3.27Å; R66-P112 PolarHBondContact NH1-O 3.21Å
113	P	76.4	Confident	83.9	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.091	31%	0.313	C	S	.	.			trans	-81	144.8	172.9	33.8	-34.6	0	0	0	112.1	L77 S115 R116	L77-P113 HydrophobicContact CD1-CB 3.93Å; L77-P113 HydrophobicContact CD1-CG 3.72Å; L77-P113 HydrophobicContact CD2-CB 3.75Å; L77-P113 HydrophobicContact CD2-CG 4.38Å; L77-P113 HydrophobicContact CG-CB 4.35Å; P113-S115 WeakPolarHBondContact CB-O 3.28Å; P113-S115 PolarHBondContact O-N 3.24Å; P113-R116 HydrophobicContact CG-CG 4.33Å
114	D	69.5	Low	83.7	Confident	153 Å²	153	58.9 Å²	58.9	82%	0.818	32%	0.315	S	S	*	.	S	Bend	trans	-61.3	-29.2	176.6	-54.7	-35.2	0	0	0	112.1
115	S	71.6	Confident	83.5	Confident	59 Å²	59	56.7 Å²	56.7	41%	0.413	31%	0.307	S	S	.	.			trans	-132.9	133.7	173.5	175.7	0	0	0	0	110.2	L77 P113 H117	L77-S115 WeakPolarHBondContact CD1-O 3.48Å; P113-S115 WeakPolarHBondContact CB-O 3.28Å; P113-S115 PolarHBondContact O-N 3.24Å; S115-H117 PolarHBondContact O-N 3.1Å; S115-H117 WeakPolarHBondContact OG-CB 3.29Å; S115-H117 PolarHBondContact OG-N 3.34Å
116	R	79.5	Confident	83.4	Confident	191 Å²	191	59.9 Å²	59.9	72%	0.721	32%	0.32	S	S	*	.			trans	-85.1	14.6	174.1	-62.6	-172.7	-180	-146.8	-2.2	113.3	P113	P113-R116 HydrophobicContact CG-CG 4.33Å
117	H	84.3	Confident	83.1	Confident	99 Å²	99	58 Å²	58	46%	0.458	31%	0.311	S	S	.	.			trans	-74	131.1	178.3	-173.5	74.7	0	0	0	111.5	G76 L77 S115 N119	G76-H117 CarbonylContact C-O 3.58Å; G76-H117 WeakPolarHBondContact CA-O 3.22Å; L77-H117 PolarHBondContact N-O 3.07Å; S115-H117 PolarHBondContact O-N 3.1Å; S115-H117 WeakPolarHBondContact OG-CB 3.29Å; S115-H117 PolarHBondContact OG-N 3.34Å; H117-N119 PolarHBondContact CD2-OD1 3.49Å; H117-N119 PolarHBondContact NE2-OD1 2.91Å
118	F	86.3	Confident	83.1	Confident	42 Å²	42	58 Å²	58	18%	0.184	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.5	177.6	-70.3	-79	0	0	0	111.2	L77 C79 I121 C143	L77-F118 HydrophobicContact CB-CD1 3.56Å; L77-F118 HydrophobicContact CB-CE1 3.77Å; L77-F118 HydrophobicContact CB-CG 4.37Å; L77-F118 HydrophobicContact CD1-CE1 4.22Å; L77-F118 HydrophobicContact CD1-CZ 4.43Å; L77-F118 CarbonylContact O-C 3.18Å; L77-F118 WeakPolarHBondContact O-CA 3.25Å; C79-F118 HydrophobicContact CB-CD1 4.12Å; F118-I121 HydrophobicContact CB-CD1 4.27Å; F118-I121 HydrophobicContact CB-CG1 4Å; F118-C143 HydrophobicContact CD2-CB 4.21Å; F118-C143 HydrophobicContact CE2-CB 4.39Å
119	N	85	Confident	83.4	Confident	12 Å²	12	55.6 Å²	55.6	6%	0.064	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-29.2	178.5	-88.9	-8.2	0	0	0	113	V69 S71 L74 G76 L77 H117 R137	V69-N119 HydrophobicContact CG2-CB 3.69Å; V69-N119 PolarHBondContact O-ND2 2.62Å; S71-N119 WeakPolarHBondContact CB-ND2 3.42Å; S71-N119 PolarHBondContact N-ND2 3.12Å; L74-N119 PolarHBondContact O-ND2 2.85Å; G76-N119 WeakPolarHBondContact CA-ND2 3.19Å; G76-N119 PolarHBondContact N-ND2 3.22Å; L77-N119 PolarHBondContact O-N 3.06Å; H117-N119 PolarHBondContact CD2-OD1 3.49Å; H117-N119 PolarHBondContact NE2-OD1 2.91Å; N119-R137 PolarHBondContact O-NH2 3.39Å
120	L	86.5	Confident	83.2	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	122.6	177	-63.2	-179.1	0	0	0	109.8	V69 L77 I78 C79 L123 V132 F133 R137	V69-L120 HydrophobicContact CB-CD1 4.31Å; V69-L120 HydrophobicContact CG1-CD1 4.12Å; V69-L120 HydrophobicContact CG2-CD1 3.83Å; V69-L120 HydrophobicContact CG2-CG 3.74Å; L77-L120 PolarHBondContact O-N 2.64Å; I78-L120 HydrophobicContact CD1-CD1 4.04Å; I78-L120 HydrophobicContact CG1-CB 4.26Å; I78-L120 HydrophobicContact CG1-CD1 4.11Å; I78-L120 HydrophobicContact CG2-CB 4.15Å; C79-L120 WeakPolarHBondContact CB-O 2.97Å; C79-L120 PolarHBondContact N-O 3.32Å; L120-L123 HydrophobicContact CD1-CD1 4.31Å; L120-L123 HydrophobicContact CD1-CD2 4.32Å; L120-V132 HydrophobicContact CD1-CG1 4.13Å; L120-V132 HydrophobicContact CD1-CG2 3.88Å; L120-F133 HydrophobicContact CD1-CE1 4.31Å; L120-F133 HydrophobicContact CD2-CD1 4.15Å; L120-F133 HydrophobicContact CD2-CE1 3.95Å; L120-F133 HydrophobicContact CG-CE1 4.47Å; L120-R137 VanDerWaalsContact CD2-NH1 3.26Å
121	I	86.2	Confident	83.2	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.226	33%	0.325	C	S	.	.			trans	-127.8	141.1	177	-53.5	175.4	0	0	0	108	C79 F118 L123 C143	C79-I121 HydrophobicContact CB-CB 4.32Å; C79-I121 HydrophobicContact CB-CG1 4.23Å; C79-I121 HydrophobicContact CB-CG2 4.25Å; F118-I121 HydrophobicContact CB-CD1 4.27Å; F118-I121 HydrophobicContact CB-CG1 4Å; I121-L123 PolarHBondContact O-N 3.02Å; I121-C143 HydrophobicContact CG2-CB 4.49Å
122	G	82.1	Confident	83.6	Confident	26 Å²	26	61.1 Å²	61.1	27%	0.268	32%	0.318	S	S	.	.	S	Bend	trans	55.9	48.5	-179.2	0	0	0	0	0	112.5	R137 N138	G122-R137 WeakPolarHBondContact O-CA 3.35Å; G122-N138 PolarHBondContact O-N 3.36Å
123	L	87.9	Confident	84	Confident	11 Å²	11	59.7 Å²	59.7	6%	0.058	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	129.2	178.1	-173.8	71.6	0	0	0	109.3	I78 F83 E87 L120 I121 V132 C135 R137	I78-L123 HydrophobicContact CD1-CD2 4.39Å; I78-L123 HydrophobicContact CG2-CD2 4.15Å; F83-L123 HydrophobicContact CE2-CD2 4.38Å; E87-L123 HydrophobicContact CB-CD2 4.06Å; E87-L123 HydrophobicContact CG-CB 4.41Å; E87-L123 HydrophobicContact CG-CD2 3.74Å; E87-L123 HydrophobicContact CG-CG 3.91Å; L120-L123 HydrophobicContact CD1-CD1 4.31Å; L120-L123 HydrophobicContact CD1-CD2 4.32Å; I121-L123 PolarHBondContact O-N 3.02Å; L123-V132 HydrophobicContact CD1-CG2 4.22Å; L123-V132 HydrophobicContact CD2-CG2 3.53Å; L123-V132 HydrophobicContact CG-CG2 4.49Å; L123-C135 HydrophobicContact CD1-CB 3.75Å; L123-C135 HydrophobicContact CG-CB 4.35Å; L123-R137 HydrophobicContact CD1-CG 4.17Å
124	S	90.2	Very high	84.5	Confident	67 Å²	67	64.9 Å²	64.9	47%	0.469	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	108.2	177.9	-178.6	0	0	0	0	110.4	E87 R136	E87-S124 WeakPolarHBondContact OE1-CA 3.45Å; S124-R136 PolarHBondContact N-O 2.84Å; S124-R136 WeakPolarHBondContact O-CB 3.49Å; S124-R136 PolarHBondContact O-N 3.29Å
125	C	92.3	Very high	85.4	Confident	6 Å²	6	58 Å²	58	4%	0.041	29%	0.289	C	S	.	.			trans	-102.2	146	179.4	-61.9	0	0	0	0	110.9	N86 E87 V90 G127 E129 C135	N86-C125 HydrophobicContact CB-CB 4.36Å; N86-C125 WeakPolarHBondContact CB-O 3.29Å; E87-C125 HydrophobicContact CG-CB 4.16Å; E87-C125 PolarHBondContact OE1-N 2.84Å; V90-C125 HydrophobicContact CG2-CB 3.96Å; C125-G127 VanDerWaalsContact C-N 3.28Å; C125-E129 WeakPolarHBondContact CA-OE1 2.91Å; C125-C135 HydrophobicContact CB-CB 3.9Å; C125-C135 WeakPolarHBondContact CB-SG 3.32Å; C125-C135 WeakPolarHBondContact SG-CB 3.41Å; C125-C135 CovalentContact SG-SG 2.02Å; C125-C135 PolarHBondContact SG-SG 3.32Å
126	Q	90.2	Very high	86.2	Confident	89 Å²	89	63.8 Å²	63.8	42%	0.416	30%	0.302	S	S	.	.			trans	-78.4	-16.9	167.8	-61.6	179.1	-10.2	0	0	111.9	S128 E129 W419	Q126-S128 VanDerWaalsContact C-N 3.35Å; Q126-E129 VanDerWaalsContact N-CD 3.31Å; Q126-E129 PolarHBondContact N-OE1 3.49Å; Q126-E129 PolarHBondContact N-OE2 2.82Å; Q126-W419 VanDerWaalsContact OE1-CH2 3.26Å
127	G	84.8	Confident	86.2	Confident	12 Å²	12	59.1 Å²	59.1	12%	0.124	28%	0.284	C	S	.	.	S	Bend	trans	86.6	4.8	-176.1	0	0	0	0	0	113.4	R93 C125 E129	R93-G127 PolarHBondContact NH1-O 2.55Å; C125-G127 VanDerWaalsContact C-N 3.28Å; G127-E129 PolarHBondContact N-OE2 3.44Å
128	S	86	Confident	85.6	Confident	87 Å²	87	58.9 Å²	58.9	61%	0.608	29%	0.286	S	S	*	.			trans	-109.9	-7.4	177.8	64.4	0	0	0	0	112.9	Q126	Q126-S128 VanDerWaalsContact C-N 3.35Å
129	E	88.7	Confident	84.5	Confident	25 Å²	25	61.9 Å²	61.9	12%	0.117	30%	0.304	C	S	.	.			trans	-64.8	142.6	178	-61.6	88.8	159.1	0	0	111.8	V90 C125 Q126 G127 H134	V90-E129 HydrophobicContact CG1-CB 4Å; V90-E129 HydrophobicContact CG2-CB 3.93Å; C125-E129 WeakPolarHBondContact CA-OE1 2.91Å; Q126-E129 VanDerWaalsContact N-CD 3.31Å; Q126-E129 PolarHBondContact N-OE1 3.49Å; Q126-E129 PolarHBondContact N-OE2 2.82Å; G127-E129 PolarHBondContact N-OE2 3.44Å; E129-H134 HydrophobicContact CB-CB 4.32Å; E129-H134 HydrophobicContact CG-CB 4.26Å
130	R	79.9	Confident	83.4	Confident	226 Å²	226	69.7 Å²	69.7	85%	0.853	34%	0.34	S	S	*	.	S	Bend	trans	-84.3	-13.7	175.7	-65.1	-174.5	176.7	-160	-3	113.8
131	N	83.6	Confident	82.3	Confident	32 Å²	32	70.8 Å²	70.8	17%	0.171	35%	0.351	C	S	.	.	S	Bend	trans	-151.3	135.8	-173.7	-174.7	-33.1	0	0	0	108.6	Q94 F133 H134	Q94-N131 VanDerWaalsContact NE2-CG 3.28Å; Q94-N131 PolarHBondContact NE2-ND2 2.78Å; Q94-N131 PolarHBondContact NE2-OD1 3.38Å; Q94-N131 VanDerWaalsContact NE2-OD1 3.11Å; Q94-N131 PolarHBondContact OE1-OD1 2.83Å; N131-F133 PolarHBondContact O-N 3.12Å; N131-F133 VanDerWaalsContact O-N 3.16Å; N131-F133 WeakPolarHBondContact OD1-CD2 3Å; N131-F133 PolarHBondContact OD1-N 2.86Å; N131-H134 WeakPolarHBondContact O-CB 3.32Å; N131-H134 PolarHBondContact O-N 3.25Å
132	V	87.6	Confident	81.6	Confident	0 Å²	0	79.7 Å²	79.7	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-56.3	-29.5	179.7	74.9	0	0	0	0	112.8	V53 V69 I78 V90 I91 L120 L123 H134 C135	V53-V132 HydrophobicContact CG2-CG1 3.63Å; V69-V132 HydrophobicContact CG1-CG1 4.47Å; I78-V132 HydrophobicContact CD1-CG2 4.45Å; V90-V132 HydrophobicContact CG1-CB 4.41Å; I91-V132 HydrophobicContact CD1-CG2 4.2Å; I91-V132 HydrophobicContact CG1-CB 4.21Å; I91-V132 HydrophobicContact CG1-CG2 3.86Å; L120-V132 HydrophobicContact CD1-CG1 4.13Å; L120-V132 HydrophobicContact CD1-CG2 3.88Å; L123-V132 HydrophobicContact CD1-CG2 4.22Å; L123-V132 HydrophobicContact CD2-CG2 3.53Å; L123-V132 HydrophobicContact CG-CG2 4.49Å; V132-H134 PolarHBondContact O-N 3.05Å; V132-C135 WeakPolarHBondContact O-CB 3.39Å; V132-C135 PolarHBondContact O-N 3.3Å
133	F	85.2	Confident	81.7	Confident	58 Å²	58	79.4 Å²	79.4	25%	0.254	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-74.3	-8.6	176.4	-59.4	-66.1	0	0	0	114.3	L52 V69 M70 L120 N131	L52-F133 HydrophobicContact CB-CE2 4.1Å; V69-F133 HydrophobicContact CB-CZ 4.19Å; M70-F133 WeakPolarHBondContact O-CZ 3.46Å; L120-F133 HydrophobicContact CD1-CE1 4.31Å; L120-F133 HydrophobicContact CD2-CD1 4.15Å; L120-F133 HydrophobicContact CD2-CE1 3.95Å; L120-F133 HydrophobicContact CG-CE1 4.47Å; N131-F133 PolarHBondContact O-N 3.12Å; N131-F133 VanDerWaalsContact O-N 3.16Å; N131-F133 WeakPolarHBondContact OD1-CD2 3Å; N131-F133 PolarHBondContact OD1-N 2.86Å
134	H	87.4	Confident	81.3	Confident	123 Å²	123	82.2 Å²	82.2	57%	0.569	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-90.6	-11.1	172.1	-63.8	177.2	0	0	0	113.1	E129 N131 V132	E129-H134 HydrophobicContact CB-CB 4.32Å; E129-H134 HydrophobicContact CG-CB 4.26Å; N131-H134 WeakPolarHBondContact O-CB 3.32Å; N131-H134 PolarHBondContact O-N 3.25Å; V132-H134 PolarHBondContact O-N 3.05Å
135	C	87.6	Confident	80.6	Confident	8 Å²	8	85 Å²	85	5%	0.054	41%	0.413	C	S	.	.	S	Bend	trans	-69.2	157.3	172.6	-57.8	0	0	0	0	110.9	L123 C125 V132	L123-C135 HydrophobicContact CD1-CB 3.75Å; L123-C135 HydrophobicContact CG-CB 4.35Å; C125-C135 HydrophobicContact CB-CB 3.9Å; C125-C135 WeakPolarHBondContact CB-SG 3.32Å; C125-C135 WeakPolarHBondContact SG-CB 3.41Å; C125-C135 CovalentContact SG-SG 2.02Å; C125-C135 PolarHBondContact SG-SG 3.32Å; V132-C135 WeakPolarHBondContact O-CB 3.39Å; V132-C135 PolarHBondContact O-N 3.3Å
136	R	88.6	Confident	79.5	Confident	181 Å²	181	90.6 Å²	90.6	68%	0.683	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.7	176.3	-63.9	-179.9	178.1	177.9	-0.8	109.7	S124	S124-R136 PolarHBondContact N-O 2.84Å; S124-R136 WeakPolarHBondContact O-CB 3.49Å; S124-R136 PolarHBondContact O-N 3.29Å
137	R	79.6	Confident	78.4	Confident	94 Å²	94	87.8 Å²	87.8	36%	0.355	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.5	-179.5	-66.9	178.2	60.4	167.3	4.7	110.3	N119 L120 G122 L123 L139	N119-R137 PolarHBondContact O-NH2 3.39Å; L120-R137 VanDerWaalsContact CD2-NH1 3.26Å; G122-R137 WeakPolarHBondContact O-CA 3.35Å; L123-R137 HydrophobicContact CD1-CG 4.17Å; R137-L139 PolarHBondContact O-N 2.91Å
138	N	71.9	Confident	78.3	Confident	93 Å²	93	93 Å²	93	50%	0.497	46%	0.455	S	S	.	.			trans	-83.8	95.9	166.6	-173.3	-7.3	0	0	0	110.1	G122 H140 G141	G122-N138 PolarHBondContact O-N 3.36Å; N138-H140 PolarHBondContact O-N 2.85Å; N138-H140 PolarHBondContact OD1-N 2.8Å; N138-H140 VanDerWaalsContact OD1-N 3.13Å; N138-G141 PolarHBondContact O-N 2.93Å; N138-G141 VanDerWaalsContact O-N 3.1Å; N138-G141 PolarHBondContact OD1-N 2.87Å
139	L	62.8	Low	78.5	Confident	106 Å²	106	88.9 Å²	88.9	56%	0.555	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-7.4	-179	-67.1	172.1	0	0	0	114.7	L29 R137	L29-L139 HydrophobicContact CD1-CD1 3.59Å; R137-L139 PolarHBondContact O-N 2.91Å
140	H	61.6	Low	78.7	Confident	176 Å²	176	87.7 Å²	87.7	82%	0.815	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	8.2	177.2	-60.8	-16.6	0	0	0	112.6	N138	N138-H140 PolarHBondContact O-N 2.85Å; N138-H140 PolarHBondContact OD1-N 2.8Å; N138-H140 VanDerWaalsContact OD1-N 3.13Å
141	G	63.8	Low	79.4	Confident	23 Å²	23	77 Å²	77	24%	0.237	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-66.4	142	172.5	0	0	0	0	0	111.7	N138	N138-G141 PolarHBondContact O-N 2.93Å; N138-G141 VanDerWaalsContact O-N 3.1Å; N138-G141 PolarHBondContact OD1-N 2.87Å
142	R	72.4	Confident	80	Confident	230 Å²	230	75.5 Å²	75.5	87%	0.868	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-103.8	147.6	161.6	-60.7	-175.6	-172	-176.6	3.1	108.1
143	C	82.9	Confident	80.4	Confident	20 Å²	20	77.1 Å²	77.1	14%	0.135	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-82.7	128.1	173.2	-152.2	0	0	0	0	108.3	C79 F118 I121 P145 S147	C79-C143 WeakPolarHBondContact CA-SG 3.37Å; C79-C143 HydrophobicContact CB-CB 4.07Å; C79-C143 WeakPolarHBondContact CB-SG 3.44Å; C79-C143 WeakPolarHBondContact SG-CA 3.44Å; C79-C143 WeakPolarHBondContact SG-CB 3.34Å; C79-C143 CovalentContact SG-SG 2.03Å; C79-C143 PolarHBondContact SG-SG 2.81Å; F118-C143 HydrophobicContact CD2-CB 4.21Å; F118-C143 HydrophobicContact CE2-CB 4.39Å; I121-C143 HydrophobicContact CG2-CB 4.49Å; C143-P145 WeakPolarHBondContact O-CD 3.45Å; C143-S147 WeakPolarHBondContact SG-CB 3.4Å; C143-S147 PolarHBondContact SG-OG 2.88Å
144	S	79.7	Confident	81	Confident	71 Å²	71	74.9 Å²	74.9	50%	0.497	37%	0.372	S	S	.	.			trans	-84.1	115.4	-164.5	-51.1	0	0	0	0	111.5	D81 P146 S147	D81-S144 WeakPolarHBondContact OD2-CB 3Å; D81-S144 PolarHBondContact OD2-N 2.85Å; D81-S144 PolarHBondContact OD2-OG 3.28Å; S144-P146 CarbonylContact O-C 3.45Å; S144-S147 WeakPolarHBondContact O-CA 3.3Å; S144-S147 WeakPolarHBondContact O-CB 3.42Å; S144-S147 PolarHBondContact O-N 3.09Å
145	P	75.2	Confident	81.3	Confident	126 Å²	126	73 Å²	73	82%	0.818	36%	0.362	S	S	*	.	S	Bend	trans	-63.1	134.9	-178.9	-21.8	33.8	0	0	0	112.2	C143	C143-P145 WeakPolarHBondContact O-CD 3.45Å
146	P	70.2	Confident	81.5	Confident	123 Å²	123	75.5 Å²	75.5	80%	0.799	37%	0.373	S	S	*	.	S	Bend	cis	-91.6	85.2	-1.9	36.1	-32.9	0	0	0	112.8	S144	S144-P146 CarbonylContact O-C 3.45Å
147	S	66.9	Low	81.7	Confident	30 Å²	30	67 Å²	67	21%	0.21	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-70.7	128.1	174	54.9	0	0	0	0	110.8	D81 C143 S144	D81-S147 WeakPolarHBondContact OD1-CB 3.34Å; C143-S147 WeakPolarHBondContact SG-CB 3.4Å; C143-S147 PolarHBondContact SG-OG 2.88Å; S144-S147 WeakPolarHBondContact O-CA 3.3Å; S144-S147 WeakPolarHBondContact O-CB 3.42Å; S144-S147 PolarHBondContact O-N 3.09Å
148	R	83.3	Confident	82.3	Confident	121 Å²	121	65.5 Å²	65.5	46%	0.457	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-103.7	160.2	-179.3	-64.4	177.7	-180	169	-2.2	111.7	G80 T106	G80-R148 PolarHBondContact N-O 2.95Å; T106-R148 WeakPolarHBondContact O-CB 3.42Å; T106-R148 WeakPolarHBondContact O-CD 3.31Å
149	S	89.1	Confident	83.3	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.007	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-67.4	141.4	173.9	64.1	0	0	0	0	111.7	R66	R66-S149 WeakPolarHBondContact CD-OG 3.5Å
150	V	93.4	Very high	84.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-75.6	138.6	172.6	-179.4	0	0	0	0	111.4	V67 I78 F83 T106 V152	V67-V150 PolarHBondContact N-O 2.8Å; I78-V150 HydrophobicContact CB-CG2 4.39Å; I78-V150 HydrophobicContact CG2-CG2 4.45Å; F83-V150 HydrophobicContact CB-CG2 4.08Å; F83-V150 HydrophobicContact CD1-CG1 3.81Å; F83-V150 HydrophobicContact CD1-CG2 4.15Å; F83-V150 HydrophobicContact CD2-CB 4.46Å; F83-V150 HydrophobicContact CD2-CG1 4.22Å; F83-V150 HydrophobicContact CD2-CG2 3.69Å; F83-V150 HydrophobicContact CE1-CG1 3.5Å; F83-V150 VanDerWaalsContact CE1-CG1 3.5Å; F83-V150 HydrophobicContact CE2-CB 4.4Å; F83-V150 HydrophobicContact CE2-CG1 3.92Å; F83-V150 HydrophobicContact CE2-CG2 4.11Å; F83-V150 HydrophobicContact CG-CG1 4.16Å; F83-V150 HydrophobicContact CG-CG2 3.7Å; F83-V150 HydrophobicContact CZ-CG1 3.57Å; T106-V150 HydrophobicContact CG2-CG2 4.44Å; V150-V152 HydrophobicContact CG1-CG1 4.32Å
151	S	94.9	Very high	86.3	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.5	165.5	-49.1	0	0	0	0	110.2	G65 R66 F104 T105	G65-S151 CarbonylContact O-C 3.53Å; G65-S151 WeakPolarHBondContact O-CA 3.24Å; G65-S151 WeakPolarHBondContact O-CB 3.47Å; R66-S151 WeakPolarHBondContact CA-OG 3.5Å; F104-S151 CarbonylContact C-O 3.53Å; F104-S151 WeakPolarHBondContact CA-O 3.46Å; F104-S151 WeakPolarHBondContact CB-O 3.48Å; T105-S151 PolarHBondContact N-O 3.16Å; T105-S151 PolarHBondContact O-N 2.62Å
152	V	96.4	Very high	87.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.2	-179.5	-62.7	0	0	0	0	111	L55 E64 G65 V67 A88 I91 F104 V150	L55-V152 HydrophobicContact CD2-CG2 3.5Å; E64-V152 WeakPolarHBondContact CA-O 3.39Å; G65-V152 PolarHBondContact N-O 3.49Å; G65-V152 VanDerWaalsContact N-O 3.16Å; G65-V152 PolarHBondContact O-N 2.94Å; V67-V152 HydrophobicContact CG2-CB 4.25Å; V67-V152 HydrophobicContact CG2-CG1 3.71Å; V67-V152 HydrophobicContact CG2-CG2 3.69Å; A88-V152 HydrophobicContact CB-CG1 4Å; I91-V152 HydrophobicContact CG2-CG2 4.23Å; F104-V152 HydrophobicContact CB-CG1 4.2Å; V150-V152 HydrophobicContact CG1-CG1 4.32Å
153	M	95.9	Very high	88.6	Confident	35 Å²	35	39.2 Å²	39.2	17%	0.172	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	99.6	172.1	-57.6	86.8	96.6	0	0	107.7	E64 N102 N103 T105	E64-M153 HydrophobicContact CG-CB 4.11Å; E64-M153 HydrophobicContact CG-CG 4.02Å; N102-M153 WeakPolarHBondContact CB-O 3.44Å; N102-M153 PolarHBondContact N-O 2.83Å; N103-M153 HydrophobicContact CB-CE 3.89Å; N103-M153 PolarHBondContact N-O 2.83Å; N103-M153 PolarHBondContact O-N 2.64Å; T105-M153 HydrophobicContact CG2-SD 4.45Å
154	C	96.6	Very high	88.9	Confident	11 Å²	11	41.5 Å²	41.5	7%	0.074	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	144.5	-173.2	-59	0	0	0	0	112.4	G63 C92 F97 Q156	G63-C154 WeakPolarHBondContact O-CB 3.49Å; G63-C154 PolarHBondContact O-N 3.29Å; C92-C154 WeakPolarHBondContact CA-SG 3.09Å; C92-C154 HydrophobicContact CB-CB 3.72Å; C92-C154 WeakPolarHBondContact CB-SG 2.99Å; C92-C154 WeakPolarHBondContact SG-CA 3.38Å; C92-C154 WeakPolarHBondContact SG-CB 3.28Å; C92-C154 CovalentContact SG-SG 2.04Å; C92-C154 PolarHBondContact SG-SG 3.13Å; F97-C154 HydrophobicContact CB-CB 3.81Å; F97-C154 HydrophobicContact CD1-CB 3.75Å; F97-C154 HydrophobicContact CD2-CB 3.5Å; F97-C154 VanDerWaalsContact CD2-CB 3.5Å; F97-C154 HydrophobicContact CE1-CB 4.18Å; F97-C154 HydrophobicContact CE2-CB 3.96Å; F97-C154 HydrophobicContact CG-CB 3.39Å; F97-C154 HydrophobicContact CZ-CB 4.28Å; C154-Q156 PolarHBondContact O-N 2.87Å
155	K	94.1	Very high	89.2	Confident	84 Å²	84	40.6 Å²	40.6	37%	0.365	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-82.4	119.6	-179.1	-164.8	175.6	-170.4	-177.6	0	109.8	R99 G100 N102	R99-K155 HydrophobicContact CB-CB 4.14Å; R99-K155 HydrophobicContact CB-CD 4.24Å; R99-K155 HydrophobicContact CB-CG 4.34Å; G100-K155 PolarHBondContact O-N 2.99Å; N102-K155 HydrophobicContact CB-CB 4.3Å
156	Q	92.2	Very high	90	Very high	59 Å²	59	35 Å²	35	28%	0.276	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-55.8	140.6	178.6	-66.7	-64	-23.5	0	0	112	F62 R99 C154 Y158 P159	F62-Q156 VanDerWaalsContact CE1-OE1 3.29Å; F62-Q156 PolarHBondContact O-NE2 3.34Å; R99-Q156 WeakPolarHBondContact CD-O 3.13Å; R99-Q156 PolarHBondContact NH1-O 3.43Å; C154-Q156 PolarHBondContact O-N 2.87Å; Q156-Y158 PolarHBondContact O-N 3.47Å; Q156-P159 HydrophobicContact CB-CG 4.08Å
157	N	92.5	Very high	91.2	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.011	17%	0.165	C	C	.	.			trans	-78.3	107.8	-179.3	-58.8	-38.2	0	0	0	109.6	G96 F97 E98 L168	G96-N157 PolarHBondContact O-ND2 3.16Å; F97-N157 WeakPolarHBondContact CA-OD1 3.49Å; E98-N157 PolarHBondContact N-OD1 3.4Å; N157-L168 HydrophobicContact CB-CB 4.05Å; N157-L168 HydrophobicContact CB-CD2 3.98Å; N157-L168 HydrophobicContact CB-CG 4.25Å; N157-L168 PolarHBondContact ND2-O 2.96Å; N157-L168 VanDerWaalsContact O-CB 3.3Å; N157-L168 WeakPolarHBondContact O-CB 3.06Å
158	Y	92.6	Very high	92.5	Very high	63 Å²	63	29.4 Å²	29.4	25%	0.247	16%	0.156	C	C	.	.			trans	24.2	67.6	171.2	-53.4	-70.6	0	0	0	116.1	R99 Q156 S160 R161 D373 P375	R99-Y158 HydrophobicContact CG-CE2 4.09Å; Q156-Y158 PolarHBondContact O-N 3.47Å; Y158-S160 PolarHBondContact O-N 3.42Å; Y158-R161 WeakPolarHBondContact O-CB 3.41Å; Y158-R161 PolarHBondContact O-N 3.02Å; Y158-D373 WeakPolarHBondContact CA-OD2 3.39Å; Y158-P375 HydrophobicContact CD1-CB 4.15Å; Y158-P375 HydrophobicContact CE1-CB 3.74Å
159	P	92.7	Very high	92.9	Very high	15 Å²	15	24 Å²	24	10%	0.097	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-54.9	-28.2	-174.4	-29.8	38.5	0	0	0	114.1	Q156 R161 C162 V319 D373	Q156-P159 HydrophobicContact CB-CG 4.08Å; P159-R161 PolarHBondContact O-N 2.99Å; P159-R161 VanDerWaalsContact O-N 3.13Å; P159-C162 PolarHBondContact O-N 3.34Å; P159-V319 WeakPolarHBondContact O-CG1 3.24Å; P159-D373 WeakPolarHBondContact CD-OD2 3.46Å
160	S	93.1	Very high	92.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-59.3	-16.6	173.4	-61.9	0	0	0	0	115.2	Y158 C162 V319 D373	Y158-S160 PolarHBondContact O-N 3.42Å; S160-C162 VanDerWaalsContact C-N 3.34Å; S160-V319 WeakPolarHBondContact CA-O 3.5Å; S160-V319 VanDerWaalsContact CB-O 3.27Å; S160-V319 WeakPolarHBondContact CB-O 3.45Å; S160-V319 PolarHBondContact OG-O 3.04Å; S160-D373 PolarHBondContact OG-N 3.1Å
161	R	93.7	Very high	92.6	Very high	38 Å²	38	34.8 Å²	34.8	14%	0.143	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-80.9	-10.5	173.4	-66.8	-169.5	69.6	-163.1	-0.3	113.7	Y158 P159 L168 E171 A300 Y301 I303	Y158-R161 WeakPolarHBondContact O-CB 3.41Å; Y158-R161 PolarHBondContact O-N 3.02Å; P159-R161 PolarHBondContact O-N 2.99Å; P159-R161 VanDerWaalsContact O-N 3.13Å; R161-L168 HydrophobicContact CB-CD1 4.44Å; R161-L168 HydrophobicContact CB-CD2 4.14Å; R161-E171 IonicContact CZ-OE1 3Å; R161-E171 IonicContact CZ-OE2 2.61Å; R161-E171 IonicContact NH1-OE1 2.73Å; R161-E171 PolarHBondContact NH1-OE1 3.48Å; R161-E171 IonicContact NH1-OE2 2.71Å; R161-E171 PolarHBondContact NH1-OE2 3.36Å; R161-E171 IonicContact NH2-OE1 2.75Å; R161-E171 IonicContact NH2-OE2 2.72Å; R161-E171 PolarHBondContact NH2-OE2 3.15Å; R161-A300 HydrophobicContact CB-CB 4.5Å; R161-Y301 PolarHBondContact NE-O 3.36Å; R161-Y301 WeakPolarHBondContact O-CB 3.2Å; R161-Y301 PolarHBondContact O-N 3.15Å; R161-I303 HydrophobicContact CB-CD1 4.49Å; R161-I303 HydrophobicContact CG-CD1 3.6Å; R161-I303 HydrophobicContact CG-CG1 3.97Å
162	C	93.1	Very high	92.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.007	19%	0.188	C	C	.	.	S	Bend	trans	-104.2	165.7	177.1	-66.2	0	0	0	0	111.9	P159 S160 C173 V319	P159-C162 PolarHBondContact O-N 3.34Å; S160-C162 VanDerWaalsContact C-N 3.34Å; C162-C173 WeakPolarHBondContact CA-SG 3.48Å; C162-C173 HydrophobicContact CB-CB 3.8Å; C162-C173 WeakPolarHBondContact CB-SG 3.34Å; C162-C173 WeakPolarHBondContact SG-CB 3.41Å; C162-C173 CovalentContact SG-SG 2.04Å; C162-C173 PolarHBondContact SG-SG 2.73Å; C162-V319 VanDerWaalsContact O-CG2 3.24Å; C162-V319 WeakPolarHBondContact O-CG2 3.43Å
163	S	91.3	Very high	92.4	Very high	22 Å²	22	36.7 Å²	36.7	15%	0.154	19%	0.189	C	C	.	.	S	Bend	trans	-73.9	162.8	164.1	79.2	0	0	0	0	110.3	G165 G166 H175	S163-G165 PolarHBondContact O-N 2.85Å; S163-G166 PolarHBondContact O-N 3.32Å; S163-H175 PolarHBondContact O-CE1 2.91Å; S163-H175 PolarHBondContact OG-CE1 3.3Å; S163-H175 PolarHBondContact OG-NE2 3.19Å
164	P	89.4	Confident	92.4	Very high	69 Å²	69	35 Å²	35	45%	0.448	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	133.4	-172.1	-26.9	32.7	0	0	0	113.3	G166 H175 V319 G323	P164-G166 PolarHBondContact O-N 3.26Å; P164-H175 PolarHBondContact O-CE1 3.2Å; P164-V319 HydrophobicContact CB-CG2 4.36Å; P164-V319 HydrophobicContact CG-CG2 3.76Å; P164-G323 WeakPolarHBondContact CA-O 3.47Å
165	G	87.1	Confident	92.3	Very high	52 Å²	52	35 Å²	35	54%	0.536	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	11.7	-175.7	0	0	0	0	0	115.7	S163 G323	S163-G165 PolarHBondContact O-N 2.85Å; G165-G323 PolarHBondContact N-O 3.25Å
166	G	92.4	Very high	92.3	Very high	8 Å²	8	32.6 Å²	32.6	8%	0.082	17%	0.169	C	C	.	.			trans	-88.4	140.3	173.2	0	0	0	0	0	112.1	S163 P164 F174 H175	S163-G166 PolarHBondContact O-N 3.32Å; P164-G166 PolarHBondContact O-N 3.26Å; G166-F174 WeakPolarHBondContact CA-O 3.19Å; G166-H175 WeakPolarHBondContact CA-CE1 3.5Å; G166-H175 WeakPolarHBondContact CA-ND1 3Å; G166-H175 PolarHBondContact N-CE1 2.71Å; G166-H175 PolarHBondContact N-ND1 3.09Å
167	I	94	Very high	92.2	Very high	34 Å²	34	32.4 Å²	32.4	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.3	-179.9	-60.6	176.1	0	0	0	109.2	F62 C173 F174 F176 F209 V213	F62-I167 HydrophobicContact CD1-CD1 3.99Å; F62-I167 HydrophobicContact CD1-CG2 4.27Å; F62-I167 HydrophobicContact CE1-CD1 4.2Å; F62-I167 HydrophobicContact CE1-CG2 3.48Å; F62-I167 VanDerWaalsContact CE1-CG2 3.48Å; F62-I167 HydrophobicContact CZ-CG2 4.07Å; I167-C173 WeakPolarHBondContact O-CA 3.07Å; I167-F174 PolarHBondContact N-O 2.78Å; I167-F174 PolarHBondContact O-N 3.06Å; I167-F176 HydrophobicContact CD1-CD2 4.3Å; I167-F176 HydrophobicContact CD1-CE2 4.08Å; I167-F209 HydrophobicContact CG2-CE1 3.67Å; I167-F209 HydrophobicContact CG2-CZ 3.57Å; I167-V213 HydrophobicContact CD1-CG1 3.78Å; I167-V213 HydrophobicContact CD1-CG2 3.92Å
168	L	94	Very high	91.8	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	126.7	-176.8	-172	72.3	0	0	0	112.2	N157 R161 R170 K172 F209 A300	N157-L168 HydrophobicContact CB-CB 4.05Å; N157-L168 HydrophobicContact CB-CD2 3.98Å; N157-L168 HydrophobicContact CB-CG 4.25Å; N157-L168 PolarHBondContact ND2-O 2.96Å; N157-L168 VanDerWaalsContact O-CB 3.3Å; N157-L168 WeakPolarHBondContact O-CB 3.06Å; R161-L168 HydrophobicContact CB-CD1 4.44Å; R161-L168 HydrophobicContact CB-CD2 4.14Å; L168-R170 VanDerWaalsContact CD1-O 3.25Å; L168-R170 WeakPolarHBondContact CD1-O 3.4Å; L168-R170 WeakPolarHBondContact CG-O 3.38Å; L168-K172 WeakPolarHBondContact CA-O 3.49Å; L168-F209 WeakPolarHBondContact O-CZ 3.4Å; L168-A300 HydrophobicContact CD1-CB 3.48Å; L168-A300 VanDerWaalsContact CD1-CB 3.48Å
169	F	93.1	Very high	91.1	Very high	7 Å²	7	36.6 Å²	36.6	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.4	165.7	176.9	-94.3	0	0	0	108.8	E171 K172 F174 E205 E206 F209	F169-E171 PolarHBondContact O-N 3.42Å; F169-K172 PolarHBondContact N-O 2.83Å; F169-K172 PolarHBondContact O-N 3.21Å; F169-F174 HydrophobicContact CB-CD2 4.27Å; F169-F174 HydrophobicContact CB-CE2 4.04Å; F169-E205 HydrophobicContact CZ-CB 4.05Å; F169-E206 HydrophobicContact CD1-CB 4.25Å; F169-E206 HydrophobicContact CD1-CG 4.17Å; F169-E206 HydrophobicContact CE1-CB 3.61Å; F169-E206 HydrophobicContact CE1-CG 4.01Å; F169-E206 HydrophobicContact CZ-CB 4.03Å; F169-F209 HydrophobicContact CB-CD1 3.88Å; F169-F209 HydrophobicContact CB-CE1 3.64Å; F169-F209 HydrophobicContact CB-CE2 4.32Å; F169-F209 HydrophobicContact CB-CG 4.34Å; F169-F209 HydrophobicContact CB-CZ 3.85Å; F169-F209 HydrophobicContact CD2-CB 3.85Å; F169-F209 AromaticContact CD2-CD1 3.93Å; F169-F209 HydrophobicContact CD2-CD1 3.93Å; F169-F209 AromaticContact CD2-CD2 3.49Å; F169-F209 HydrophobicContact CD2-CD2 3.49Å; F169-F209 VanDerWaalsContact CD2-CD2 3.49Å; F169-F209 HydrophobicContact CD2-CE1 4.29Å; F169-F209 AromaticContact CD2-CE2 3.85Å; F169-F209 HydrophobicContact CD2-CE2 3.85Å; F169-F209 AromaticContact CD2-CG 3.49Å; F169-F209 HydrophobicContact CD2-CG 3.49Å; F169-F209 VanDerWaalsContact CD2-CG 3.49Å; F169-F209 HydrophobicContact CD2-CZ 4.23Å; F169-F209 HydrophobicContact CE2-CB 3.93Å; F169-F209 HydrophobicContact CE2-CD2 4.11Å; F169-F209 HydrophobicContact CE2-CG 4.08Å; F169-F209 HydrophobicContact CG-CD1 4.14Å; F169-F209 HydrophobicContact CG-CD2 4.43Å; F169-F209 HydrophobicContact CG-CE1 4.35Å; F169-F209 HydrophobicContact CG-CG 4.17Å
170	R	88.5	Confident	90.2	Very high	117 Å²	117	40.6 Å²	40.6	44%	0.442	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-123.7	-168.7	-56.1	177.9	-178.8	165.8	3.9	109.8	E98 L168	E98-R170 VanDerWaalsContact OE1-CA 3.25Å; E98-R170 WeakPolarHBondContact OE1-CA 3.47Å; E98-R170 WeakPolarHBondContact OE1-CG 3.48Å; L168-R170 VanDerWaalsContact CD1-O 3.25Å; L168-R170 WeakPolarHBondContact CD1-O 3.4Å; L168-R170 WeakPolarHBondContact CG-O 3.38Å
171	E	88.2	Confident	89.6	Confident	110 Å²	110	45.9 Å²	45.9	51%	0.514	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	13.5	-178.9	-62	-59.6	116.2	0	0	113.9	R161 F169 A300	R161-E171 IonicContact CZ-OE1 3Å; R161-E171 IonicContact CZ-OE2 2.61Å; R161-E171 IonicContact NH1-OE1 2.73Å; R161-E171 PolarHBondContact NH1-OE1 3.48Å; R161-E171 IonicContact NH1-OE2 2.71Å; R161-E171 PolarHBondContact NH1-OE2 3.36Å; R161-E171 IonicContact NH2-OE1 2.75Å; R161-E171 IonicContact NH2-OE2 2.72Å; R161-E171 PolarHBondContact NH2-OE2 3.15Å; F169-E171 PolarHBondContact O-N 3.42Å; E171-A300 WeakPolarHBondContact O-CB 3.49Å; E171-A300 PolarHBondContact O-N 2.03Å
172	K	92.2	Very high	89.3	Confident	40 Å²	40	46.9 Å²	46.9	17%	0.174	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	138	177.8	-67.2	-175.4	-176.7	-179.4	0	112.5	L168 F169 F174 V200 E206 K298	L168-K172 WeakPolarHBondContact CA-O 3.49Å; F169-K172 PolarHBondContact N-O 2.83Å; F169-K172 PolarHBondContact O-N 3.21Å; K172-F174 HydrophobicContact CB-CD2 4.46Å; K172-F174 HydrophobicContact CB-CE2 3.73Å; K172-F174 HydrophobicContact CB-CZ 4.06Å; K172-F174 HydrophobicContact CD-CE2 4.18Å; K172-F174 HydrophobicContact CD-CZ 3.71Å; K172-V200 PolarHBondContact NZ-O 3.05Å; K172-E206 IonicContact NZ-OE1 3.31Å; K172-E206 PolarHBondContact NZ-OE1 2.04Å; K172-K298 CarbonylContact C-O 3.37Å; K172-K298 WeakPolarHBondContact CA-O 3.31Å
173	C	94.6	Very high	89.2	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.014	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.9	169	-67.2	0	0	0	0	111	C162 I167 Q297 K298	C162-C173 WeakPolarHBondContact CA-SG 3.48Å; C162-C173 HydrophobicContact CB-CB 3.8Å; C162-C173 WeakPolarHBondContact CB-SG 3.34Å; C162-C173 WeakPolarHBondContact SG-CB 3.41Å; C162-C173 CovalentContact SG-SG 2.04Å; C162-C173 PolarHBondContact SG-SG 2.73Å; I167-C173 WeakPolarHBondContact O-CA 3.07Å; C173-Q297 CarbonylContact O-C 3.6Å; C173-Q297 WeakPolarHBondContact O-CA 3.37Å; C173-K298 PolarHBondContact N-O 2.77Å; C173-K298 PolarHBondContact O-N 3.43Å
174	F	95.8	Very high	89.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.1	176.2	-67.2	-83.9	0	0	0	111.4	G166 I167 F169 K172 F176 A199 E206 I210 V295 C296 Q297	G166-F174 WeakPolarHBondContact CA-O 3.19Å; I167-F174 PolarHBondContact N-O 2.78Å; I167-F174 PolarHBondContact O-N 3.06Å; F169-F174 HydrophobicContact CB-CD2 4.27Å; F169-F174 HydrophobicContact CB-CE2 4.04Å; K172-F174 HydrophobicContact CB-CD2 4.46Å; K172-F174 HydrophobicContact CB-CE2 3.73Å; K172-F174 HydrophobicContact CB-CZ 4.06Å; K172-F174 HydrophobicContact CD-CE2 4.18Å; K172-F174 HydrophobicContact CD-CZ 3.71Å; F174-F176 HydrophobicContact CB-CE2 3.62Å; F174-F176 HydrophobicContact CB-CZ 3.94Å; F174-A199 HydrophobicContact CD1-CB 4.21Å; F174-A199 HydrophobicContact CE1-CB 4.01Å; F174-E206 HydrophobicContact CZ-CG 4.1Å; F174-E206 WeakPolarHBondContact CZ-OE1 3.39Å; F174-I210 HydrophobicContact CD1-CD1 3.95Å; F174-I210 HydrophobicContact CD1-CG1 4.35Å; F174-I210 HydrophobicContact CE1-CD1 3.64Å; F174-I210 HydrophobicContact CE1-CG1 4.44Å; F174-I210 HydrophobicContact CG-CG1 4.48Å; F174-I210 HydrophobicContact CZ-CD1 3.97Å; F174-V295 HydrophobicContact CB-CG1 4.44Å; F174-V295 HydrophobicContact CD1-CG1 4.07Å; F174-C296 WeakPolarHBondContact CA-O 3.32Å; F174-Q297 HydrophobicContact CD1-CB 3.96Å; F174-Q297 HydrophobicContact CE1-CB 3.68Å; F174-Q297 HydrophobicContact CZ-CB 4.39Å
175	H	94.1	Very high	89.4	Confident	9 Å²	9	46.7 Å²	46.7	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.5	178.4	-71.8	-94.4	0	0	0	110.5	S163 P164 G166 F177 M194 V295 C296	S163-H175 PolarHBondContact O-CE1 2.91Å; S163-H175 PolarHBondContact OG-CE1 3.3Å; S163-H175 PolarHBondContact OG-NE2 3.19Å; P164-H175 PolarHBondContact O-CE1 3.2Å; G166-H175 WeakPolarHBondContact CA-CE1 3.5Å; G166-H175 WeakPolarHBondContact CA-ND1 3Å; G166-H175 PolarHBondContact N-CE1 2.71Å; G166-H175 PolarHBondContact N-ND1 3.09Å; H175-F177 HydrophobicContact CB-CD2 4.48Å; H175-F177 HydrophobicContact CB-CE2 3.69Å; H175-F177 HydrophobicContact CB-CZ 4.31Å; H175-M194 HydrophobicContact CB-CE 4.03Å; H175-V295 WeakPolarHBondContact O-CA 3.04Å; H175-C296 HydrophobicContact CB-CB 4.32Å; H175-C296 PolarHBondContact N-O 3.35Å; H175-C296 PolarHBondContact O-N 2.02Å
176	F	92.9	Very high	89.7	Confident	35 Å²	35	48.5 Å²	48.5	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.1	-167.7	-65.3	-94.6	0	0	0	111.3	I167 F174 I210 V213 L214 L217 W227 V295	I167-F176 HydrophobicContact CD1-CD2 4.3Å; I167-F176 HydrophobicContact CD1-CE2 4.08Å; F174-F176 HydrophobicContact CB-CE2 3.62Å; F174-F176 HydrophobicContact CB-CZ 3.94Å; F176-I210 HydrophobicContact CE1-CG2 4.02Å; F176-I210 HydrophobicContact CZ-CG2 4.31Å; F176-V213 HydrophobicContact CD1-CG1 4.04Å; F176-V213 HydrophobicContact CD2-CG1 3.86Å; F176-V213 HydrophobicContact CE1-CB 4.02Å; F176-V213 HydrophobicContact CE1-CG1 3.79Å; F176-V213 HydrophobicContact CE2-CB 4.2Å; F176-V213 HydrophobicContact CE2-CG1 3.62Å; F176-V213 HydrophobicContact CE2-CG2 4.22Å; F176-V213 HydrophobicContact CG-CG1 4.07Å; F176-V213 HydrophobicContact CZ-CB 3.73Å; F176-V213 HydrophobicContact CZ-CG1 3.58Å; F176-V213 HydrophobicContact CZ-CG2 3.97Å; F176-L214 HydrophobicContact CD1-CD2 3.57Å; F176-L214 HydrophobicContact CD1-CG 4.32Å; F176-L214 HydrophobicContact CE1-CD2 3.76Å; F176-L214 HydrophobicContact CE1-CG 3.99Å; F176-L217 HydrophobicContact CB-CD1 3.57Å; F176-L217 HydrophobicContact CD1-CD1 3.99Å; F176-L217 HydrophobicContact CG-CD1 3.84Å; F176-W227 HydrophobicContact CB-CH2 4.31Å; F176-W227 HydrophobicContact CB-CZ3 3.93Å; F176-W227 HydrophobicContact CD1-CZ3 4.31Å; F176-V295 HydrophobicContact CD1-CG1 4.02Å; F176-V295 HydrophobicContact CD1-CG2 3.8Å; F176-V295 HydrophobicContact CE1-CG1 3.76Å; F176-V295 HydrophobicContact CE1-CG2 3.88Å; F176-V295 HydrophobicContact CZ-CG1 4.06Å
177	F	90.4	Very high	89.7	Confident	55 Å²	55	48.1 Å²	48.1	24%	0.241	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	99.1	-177.8	-68.6	-84.3	0	0	0	111.3	H175 N179 M194 P293 F294 C296	H175-F177 HydrophobicContact CB-CD2 4.48Å; H175-F177 HydrophobicContact CB-CE2 3.69Å; H175-F177 HydrophobicContact CB-CZ 4.31Å; F177-N179 PolarHBondContact O-N 3.3Å; F177-M194 HydrophobicContact CE1-SD 4.47Å; F177-M194 HydrophobicContact CE2-CE 4.04Å; F177-M194 HydrophobicContact CE2-SD 3.58Å; F177-M194 VanDerWaalsContact CE2-SD 3.58Å; F177-M194 HydrophobicContact CZ-CE 3.76Å; F177-M194 HydrophobicContact CZ-SD 3.35Å; F177-M194 WeakPolarHBondContact CZ-SD 3.37Å; F177-P293 CarbonylContact O-C 3.46Å; F177-P293 WeakPolarHBondContact O-CA 3.49Å; F177-P293 WeakPolarHBondContact O-CB 3.05Å; F177-F294 HydrophobicContact CB-CD1 3.79Å; F177-F294 HydrophobicContact CB-CD2 3.96Å; F177-F294 HydrophobicContact CB-CE1 3.45Å; F177-F294 VanDerWaalsContact CB-CE1 3.45Å; F177-F294 HydrophobicContact CB-CE2 3.66Å; F177-F294 HydrophobicContact CB-CG 4.02Å; F177-F294 HydrophobicContact CB-CZ 3.38Å; F177-F294 HydrophobicContact CD1-CE2 4.47Å; F177-F294 HydrophobicContact CD1-CZ 4.14Å; F177-F294 AromaticContact CD2-CD2 3.91Å; F177-F294 HydrophobicContact CD2-CD2 3.91Å; F177-F294 AromaticContact CD2-CE2 3.42Å; F177-F294 HydrophobicContact CD2-CE2 3.42Å; F177-F294 VanDerWaalsContact CD2-CE2 3.42Å; F177-F294 AromaticContact CD2-CZ 3.89Å; F177-F294 HydrophobicContact CD2-CZ 3.89Å; F177-F294 HydrophobicContact CE2-CE2 4.24Å; F177-F294 HydrophobicContact CG-CD2 4.21Å; F177-F294 HydrophobicContact CG-CE1 4.12Å; F177-F294 AromaticContact CG-CE2 3.58Å; F177-F294 HydrophobicContact CG-CE2 3.58Å; F177-F294 AromaticContact CG-CZ 3.51Å; F177-F294 HydrophobicContact CG-CZ 3.51Å; F177-F294 PolarHBondContact N-O 2.03Å; F177-F294 PolarHBondContact O-N 3.46Å; F177-C296 HydrophobicContact CE2-CB 4.32Å
178	N	85.2	Confident	89.6	Confident	80 Å²	80	48.7 Å²	48.7	43%	0.428	24%	0.235	S	C	.	.			trans	-79.2	9.5	-178	-172.6	47	0	0	0	114.4	K225 W227	N178-K225 PolarHBondContact OD1-NZ 2.69Å; N178-W227 HydrophobicContact CB-CH2 3.84Å; N178-W227 HydrophobicContact CB-CZ2 4.45Å
179	N	76.9	Confident	89.5	Confident	73 Å²	73	50.3 Å²	50.3	39%	0.39	25%	0.248	S	C	.	.			trans	-76.1	133.6	-179.9	-173.4	-24.3	0	0	0	110.6	F177 D181 Y182 L292 P293	F177-N179 PolarHBondContact O-N 3.3Å; N179-D181 WeakPolarHBondContact OD1-CB 3.34Å; N179-D181 PolarHBondContact OD1-N 2.89Å; N179-D181 PolarHBondContact OD1-OD2 3.25Å; N179-Y182 HydrophobicContact CB-CD2 4.13Å; N179-Y182 HydrophobicContact CB-CE2 3.96Å; N179-L292 CarbonylContact O-C 3.5Å; N179-P293 WeakPolarHBondContact O-CA 3.01Å
180	L	73.4	Confident	89.5	Confident	98 Å²	98	51.9 Å²	51.9	51%	0.513	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	14.4	-177.6	-62	174.5	0	0	0	114.8	R291	L180-R291 CarbonylContact O-C 3.44Å; L180-R291 WeakPolarHBondContact O-CB 3.45Å
181	D	80.7	Confident	89.7	Confident	111 Å²	111	46.4 Å²	46.4	59%	0.594	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-0.5	-176.6	-66.7	-38.7	0	0	0	115.2	N179 R291	N179-D181 WeakPolarHBondContact OD1-CB 3.34Å; N179-D181 PolarHBondContact OD1-N 2.89Å; N179-D181 PolarHBondContact OD1-OD2 3.25Å; D181-R291 WeakPolarHBondContact O-CD 3.48Å; D181-R291 PolarHBondContact O-NH1 2.99Å
182	Y	88	Confident	89.8	Confident	59 Å²	59	46.3 Å²	46.3	23%	0.231	24%	0.238	C	C	.	.			trans	-96.9	126.4	-172	-71.6	-105.7	0	0	0	112.8	N179 M186 Q190 R291 L292 F294	N179-Y182 HydrophobicContact CB-CD2 4.13Å; N179-Y182 HydrophobicContact CB-CE2 3.96Å; Y182-M186 HydrophobicContact CD1-CB 3.81Å; Y182-Q190 HydrophobicContact CE1-CB 4.13Å; Y182-Q190 HydrophobicContact CE1-CG 4.42Å; Y182-R291 VanDerWaalsContact O-CA 3.31Å; Y182-R291 WeakPolarHBondContact O-CA 3.4Å; Y182-L292 PolarHBondContact O-N 2.98Å; Y182-F294 AromaticContact CD1-CE1 3.64Å; Y182-F294 HydrophobicContact CD1-CE1 3.64Å; Y182-F294 AromaticContact CD1-CZ 3.93Å; Y182-F294 HydrophobicContact CD1-CZ 3.93Å; Y182-F294 AromaticContact CD2-CE1 3.7Å; Y182-F294 HydrophobicContact CD2-CE1 3.7Å; Y182-F294 HydrophobicContact CE1-CE1 4.13Å; Y182-F294 HydrophobicContact CE1-CZ 4.08Å; Y182-F294 HydrophobicContact CE2-CE1 4.18Å; Y182-F294 HydrophobicContact CG-CD1 4.14Å; Y182-F294 AromaticContact CG-CE1 3.41Å; Y182-F294 HydrophobicContact CG-CE1 3.41Å; Y182-F294 VanDerWaalsContact CG-CE1 3.41Å; Y182-F294 HydrophobicContact CG-CZ 4.17Å
183	S	92.1	Very high	89.6	Confident	13 Å²	13	52.4 Å²	52.4	9%	0.091	26%	0.26	C	S	.	.			trans	-74.4	167.9	158.9	65.4	0	0	0	0	110.2	D185 M186 A187	S183-D185 VanDerWaalsContact C-N 3.34Å; S183-D185 PolarHBondContact O-N 3.02Å; S183-M186 PolarHBondContact O-N 3.42Å; S183-M186 VanDerWaalsContact O-N 3.15Å; S183-M186 WeakPolarHBondContact OG-CG 3.25Å; S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 2.89Å
184	F	92.3	Very high	89.2	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-53.8	-49.1	177.6	-176.2	-85.3	0	0	0	112.4	M186 A187 E188 L198 Y228 I229 R232 C267 C288	F184-M186 VanDerWaalsContact C-N 3.28Å; F184-M186 PolarHBondContact O-N 3.42Å; F184-A187 WeakPolarHBondContact O-CB 3.4Å; F184-A187 PolarHBondContact O-N 3.4Å; F184-A187 VanDerWaalsContact O-N 3.14Å; F184-E188 HydrophobicContact CE1-CB 4.47Å; F184-E188 WeakPolarHBondContact O-CB 3.25Å; F184-E188 PolarHBondContact O-N 3.44Å; F184-L198 HydrophobicContact CD2-CD1 3.96Å; F184-L198 HydrophobicContact CE1-CD1 4.24Å; F184-L198 HydrophobicContact CE2-CD1 3.58Å; F184-L198 HydrophobicContact CG-CD1 4.48Å; F184-L198 HydrophobicContact CZ-CD1 3.73Å; F184-Y228 HydrophobicContact CB-CD1 4.45Å; F184-Y228 HydrophobicContact CB-CE1 4.15Å; F184-Y228 HydrophobicContact CB-CE2 4.39Å; F184-Y228 AromaticContact CD2-CD1 3.75Å; F184-Y228 HydrophobicContact CD2-CD1 3.75Å; F184-Y228 HydrophobicContact CD2-CE1 4.14Å; F184-Y228 HydrophobicContact CD2-CG 4.16Å; F184-I229 WeakPolarHBondContact CE2-O 3.26Å; F184-R232 HydrophobicContact CE1-CB 4.46Å; F184-R232 HydrophobicContact CZ-CB 4.18Å; F184-C267 HydrophobicContact CB-CB 4.49Å; F184-C267 VanDerWaalsContact CB-SG 3.58Å; F184-C267 HydrophobicContact CD2-CB 3.69Å; F184-C267 WeakPolarHBondContact CD2-SG 3.07Å; F184-C267 HydrophobicContact CE2-CB 4.16Å; F184-C267 HydrophobicContact CG-CB 4.25Å; F184-C267 WeakPolarHBondContact CG-SG 3.42Å; F184-C288 HydrophobicContact CB-CB 3.87Å; F184-C288 PolarHBondContact N-O 3.44Å
185	D	91.6	Very high	88.7	Confident	74 Å²	74	56.9 Å²	56.9	40%	0.396	30%	0.295	S	S	.	.	H	α-helix	trans	-65.3	-31.7	-178	-41.6	-81.3	0	0	0	111.8	S183 A189 R232	S183-D185 VanDerWaalsContact C-N 3.34Å; S183-D185 PolarHBondContact O-N 3.02Å; D185-A189 VanDerWaalsContact O-CB 3.29Å; D185-A189 WeakPolarHBondContact O-CB 3.22Å; D185-A189 PolarHBondContact O-N 3.2Å; D185-R232 IonicContact OD1-CZ 2.68Å; D185-R232 VanDerWaalsContact OD1-CZ 3.26Å; D185-R232 IonicContact OD1-NH1 3.35Å; D185-R232 PolarHBondContact OD1-NH1 3.26Å; D185-R232 IonicContact OD1-NH2 3.38Å; D185-R232 PolarHBondContact OD1-NH2 3.08Å
186	M	93.4	Very high	88.4	Confident	91 Å²	91	57.4 Å²	57.4	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-72.5	-37.3	174.2	-69.6	-179	176.4	0	0	112.3	Y182 S183 F184 Q190 R291	Y182-M186 HydrophobicContact CD1-CB 3.81Å; S183-M186 PolarHBondContact O-N 3.42Å; S183-M186 VanDerWaalsContact O-N 3.15Å; S183-M186 WeakPolarHBondContact OG-CG 3.25Å; F184-M186 VanDerWaalsContact C-N 3.28Å; F184-M186 PolarHBondContact O-N 3.42Å; M186-Q190 WeakPolarHBondContact O-CB 3.45Å; M186-Q190 PolarHBondContact O-N 2.85Å; M186-R291 PolarHBondContact SD-NH1 2.06Å
187	A	92.8	Very high	88.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-45.6	176.3	0	0	0	0	0	111	S183 F184 Q190 C191 L198 F294	S183-A187 WeakPolarHBondContact O-CB 3.37Å; S183-A187 PolarHBondContact O-N 2.89Å; F184-A187 WeakPolarHBondContact O-CB 3.4Å; F184-A187 PolarHBondContact O-N 3.4Å; F184-A187 VanDerWaalsContact O-N 3.14Å; A187-Q190 WeakPolarHBondContact O-CB 3.48Å; A187-Q190 PolarHBondContact O-N 2.04Å; A187-Q190 VanDerWaalsContact O-N 3.15Å; A187-C191 PolarHBondContact O-N 2.86Å; A187-C191 PolarHBondContact O-SG 2.76Å; A187-L198 HydrophobicContact CB-CD2 4.13Å; A187-F294 HydrophobicContact CB-CB 3.8Å; A187-F294 HydrophobicContact CB-CD1 3.69Å; A187-F294 HydrophobicContact CB-CD2 3.74Å; A187-F294 HydrophobicContact CB-CE1 4.15Å; A187-F294 HydrophobicContact CB-CE2 4.17Å; A187-F294 HydrophobicContact CB-CG 3.47Å; A187-F294 VanDerWaalsContact CB-CG 3.47Å; A187-F294 HydrophobicContact CB-CZ 4.37Å
188	E	91.7	Very high	88.4	Confident	46 Å²	46	53.8 Å²	53.8	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-54.7	-52.7	170.9	173.2	165.7	-124.5	0	0	111.5	F184 Q190 C191 L192 L198 R232 Q241	F184-E188 HydrophobicContact CE1-CB 4.47Å; F184-E188 WeakPolarHBondContact O-CB 3.25Å; F184-E188 PolarHBondContact O-N 3.44Å; E188-Q190 VanDerWaalsContact C-N 3.25Å; E188-Q190 PolarHBondContact O-N 3.2Å; E188-C191 PolarHBondContact O-N 3.34Å; E188-L192 HydrophobicContact CG-CD1 3.97Å; E188-L192 WeakPolarHBondContact O-CB 3.47Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 3.44Å; E188-L198 HydrophobicContact CB-CD1 4.25Å; E188-R232 IonicContact OE2-NH1 2.68Å; E188-Q241 VanDerWaalsContact CG-NE2 3.28Å; E188-Q241 WeakPolarHBondContact OE1-CG 3.45Å; E188-Q241 PolarHBondContact OE1-NE2 3.05Å
189	A	91.6	Very high	88.7	Confident	35 Å²	35	50 Å²	50	29%	0.289	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-32.4	176	0	0	0	0	0	113.3	D185 R193	D185-A189 VanDerWaalsContact O-CB 3.29Å; D185-A189 WeakPolarHBondContact O-CB 3.22Å; D185-A189 PolarHBondContact O-N 3.2Å; A189-R193 WeakPolarHBondContact O-CG 3.44Å; A189-R193 PolarHBondContact O-N 2.86Å; A189-R193 VanDerWaalsContact O-N 3.07Å
190	Q	92.6	Very high	89.2	Confident	41 Å²	41	46.9 Å²	46.9	19%	0.192	25%	0.253	C	S	.	.	H	α-helix	trans	-70.8	-44	174.8	-178.2	59.3	22.4	0	0	112.3	Y182 M186 A187 E188 L192 R193 M194 F294	Y182-Q190 HydrophobicContact CE1-CB 4.13Å; Y182-Q190 HydrophobicContact CE1-CG 4.42Å; M186-Q190 WeakPolarHBondContact O-CB 3.45Å; M186-Q190 PolarHBondContact O-N 2.85Å; A187-Q190 WeakPolarHBondContact O-CB 3.48Å; A187-Q190 PolarHBondContact O-N 2.04Å; A187-Q190 VanDerWaalsContact O-N 3.15Å; E188-Q190 VanDerWaalsContact C-N 3.25Å; E188-Q190 PolarHBondContact O-N 3.2Å; Q190-L192 VanDerWaalsContact C-N 3.34Å; Q190-R193 PolarHBondContact O-N 3.28Å; Q190-R193 VanDerWaalsContact OE1-NE 3.1Å; Q190-M194 WeakPolarHBondContact O-CG 3.37Å; Q190-M194 PolarHBondContact O-N 2.97Å; Q190-F294 HydrophobicContact CB-CE2 4.06Å; Q190-F294 HydrophobicContact CB-CZ 3.99Å; Q190-F294 HydrophobicContact CG-CE2 4.01Å; Q190-F294 HydrophobicContact CG-CZ 3.84Å
191	C	93.2	Very high	89.6	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-39.4	175.8	-57.8	0	0	0	0	112	A187 E188 R193 M194 G195 G196 G197 L198 C296	A187-C191 PolarHBondContact O-N 2.86Å; A187-C191 PolarHBondContact O-SG 2.76Å; E188-C191 PolarHBondContact O-N 3.34Å; C191-R193 PolarHBondContact O-N 2.91Å; C191-M194 WeakPolarHBondContact O-CB 3.02Å; C191-M194 PolarHBondContact O-N 2.85Å; C191-M194 VanDerWaalsContact O-N 3.1Å; C191-G195 PolarHBondContact O-N 3.01Å; C191-G196 CarbonylContact C-O 3.43Å; C191-G196 CarbonylContact O-C 3.53Å; C191-G196 PolarHBondContact O-N 2.87Å; C191-G197 WeakPolarHBondContact CB-O 3.44Å; C191-L198 VanDerWaalsContact SG-CD2 3.54Å; C191-C296 WeakPolarHBondContact CA-SG 3.13Å; C191-C296 HydrophobicContact CB-CB 3.72Å; C191-C296 WeakPolarHBondContact CB-SG 3.12Å; C191-C296 WeakPolarHBondContact SG-CA 3.33Å; C191-C296 WeakPolarHBondContact SG-CB 3.42Å; C191-C296 CovalentContact SG-SG 2.04Å; C191-C296 PolarHBondContact SG-SG 3.09Å
192	L	90.3	Very high	89.3	Confident	109 Å²	109	39.9 Å²	39.9	57%	0.571	22%	0.219	S	C	*	.	H	α-helix	trans	-61.6	-41.8	174.4	-72.2	167.3	0	0	0	111.8	E188 Q190 M194 G195 G196	E188-L192 HydrophobicContact CG-CD1 3.97Å; E188-L192 WeakPolarHBondContact O-CB 3.47Å; E188-L192 WeakPolarHBondContact O-CG 3.47Å; E188-L192 PolarHBondContact O-N 3.44Å; Q190-L192 VanDerWaalsContact C-N 3.34Å; L192-M194 PolarHBondContact O-N 2.7Å; L192-G195 WeakPolarHBondContact O-CA 3.45Å; L192-G195 PolarHBondContact O-N 2.81Å; L192-G196 WeakPolarHBondContact CA-O 3.38Å
193	R	88.9	Confident	88.8	Confident	168 Å²	168	37.7 Å²	37.7	63%	0.634	21%	0.212	S	C	*	.	H	α-helix	trans	-60.5	-26.4	173.3	-81.2	-171.4	-65.8	-94.9	2.3	113.8	A189 Q190 C191 G195	A189-R193 WeakPolarHBondContact O-CG 3.44Å; A189-R193 PolarHBondContact O-N 2.86Å; A189-R193 VanDerWaalsContact O-N 3.07Å; Q190-R193 PolarHBondContact O-N 3.28Å; Q190-R193 VanDerWaalsContact OE1-NE 3.1Å; C191-R193 PolarHBondContact O-N 2.91Å; R193-G195 VanDerWaalsContact C-N 3.26Å
194	M	86.4	Confident	88.1	Confident	45 Å²	45	38.5 Å²	38.5	22%	0.222	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.4	174.4	-63.6	172.8	66.1	0	0	113.1	H175 F177 Q190 C191 L192 K298	H175-M194 HydrophobicContact CB-CE 4.03Å; F177-M194 HydrophobicContact CE1-SD 4.47Å; F177-M194 HydrophobicContact CE2-CE 4.04Å; F177-M194 HydrophobicContact CE2-SD 3.58Å; F177-M194 VanDerWaalsContact CE2-SD 3.58Å; F177-M194 HydrophobicContact CZ-CE 3.76Å; F177-M194 HydrophobicContact CZ-SD 3.35Å; F177-M194 WeakPolarHBondContact CZ-SD 3.37Å; Q190-M194 WeakPolarHBondContact O-CG 3.37Å; Q190-M194 PolarHBondContact O-N 2.97Å; C191-M194 WeakPolarHBondContact O-CB 3.02Å; C191-M194 PolarHBondContact O-N 2.85Å; C191-M194 VanDerWaalsContact O-N 3.1Å; L192-M194 PolarHBondContact O-N 2.7Å; M194-K298 WeakPolarHBondContact O-CD 3.34Å; M194-K298 WeakPolarHBondContact O-CE 3.45Å; M194-K298 PolarHBondContact O-NZ 2.87Å
195	G	85	Confident	87.7	Confident	51 Å²	51	42.7 Å²	42.7	53%	0.526	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	32.5	-173.2	0	0	0	0	0	113.2	C191 L192 R193 K298	C191-G195 PolarHBondContact O-N 3.01Å; L192-G195 WeakPolarHBondContact O-CA 3.45Å; L192-G195 PolarHBondContact O-N 2.81Å; R193-G195 VanDerWaalsContact C-N 3.26Å; G195-K298 WeakPolarHBondContact O-CE 3.38Å; G195-K298 WeakPolarHBondContact O-CG 3.43Å
196	G	87.8	Confident	87.6	Confident	19 Å²	19	39.3 Å²	39.3	20%	0.196	22%	0.216	C	C	.	.			trans	-138.7	-156.7	177.1	0	0	0	0	0	112	C191 L192 Q297	C191-G196 CarbonylContact C-O 3.43Å; C191-G196 CarbonylContact O-C 3.53Å; C191-G196 PolarHBondContact O-N 2.87Å; L192-G196 WeakPolarHBondContact CA-O 3.38Å; G196-Q297 CarbonylContact C-O 3.57Å; G196-Q297 VanDerWaalsContact CA-O 3.27Å; G196-Q297 WeakPolarHBondContact CA-O 3.26Å
197	G	91.1	Very high	87.3	Confident	14 Å²	14	35.1 Å²	35.1	14%	0.144	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	179.5	175.3	0	0	0	0	0	111.3	C191 C296 Q297	C191-G197 WeakPolarHBondContact CB-O 3.44Å; G197-C296 CarbonylContact O-C 3.51Å; G197-C296 VanDerWaalsContact O-CA 3.26Å; G197-C296 WeakPolarHBondContact O-CA 3.39Å; G197-Q297 PolarHBondContact N-O 2.75Å; G197-Q297 PolarHBondContact O-N 3.11Å
198	L	92.4	Very high	87.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	150.8	166.8	-73.7	171.2	0	0	0	109.4	F184 A187 E188 C191 V200 G230 F294 V295	F184-L198 HydrophobicContact CD2-CD1 3.96Å; F184-L198 HydrophobicContact CE1-CD1 4.24Å; F184-L198 HydrophobicContact CE2-CD1 3.58Å; F184-L198 HydrophobicContact CG-CD1 4.48Å; F184-L198 HydrophobicContact CZ-CD1 3.73Å; A187-L198 HydrophobicContact CB-CD2 4.13Å; E188-L198 HydrophobicContact CB-CD1 4.25Å; C191-L198 VanDerWaalsContact SG-CD2 3.54Å; L198-V200 PolarHBondContact O-N 2.88Å; L198-G230 VanDerWaalsContact CB-CA 3.42Å; L198-F294 HydrophobicContact CD2-CB 3.87Å; L198-F294 HydrophobicContact CD2-CD2 3.97Å; L198-F294 HydrophobicContact CD2-CG 4.33Å; L198-V295 WeakPolarHBondContact CA-O 3.48Å
199	A	91.5	Very high	87.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.			trans	-56.9	130	-173.6	0	0	0	0	0	112.5	F174 I229 G230 V295	F174-A199 HydrophobicContact CD1-CB 4.21Å; F174-A199 HydrophobicContact CE1-CB 4.01Å; A199-I229 HydrophobicContact CB-CB 4.5Å; A199-I229 HydrophobicContact CB-CG2 4.22Å; A199-G230 PolarHBondContact O-N 2.92Å; A199-V295 HydrophobicContact CB-CB 4.01Å; A199-V295 HydrophobicContact CB-CG1 3.93Å; A199-V295 PolarHBondContact N-O 3.39Å
200	V	87.2	Confident	87.1	Confident	8 Å²	8	32.5 Å²	32.5	5%	0.048	18%	0.178	C	C	.	.			trans	-115.8	98.9	176	173.4	0	0	0	0	107	K172 L198 T202 W240 T242 Q297	K172-V200 PolarHBondContact NZ-O 3.05Å; L198-V200 PolarHBondContact O-N 2.88Å; V200-T202 HydrophobicContact CG1-CG2 4.25Å; V200-W240 HydrophobicContact CB-CD2 4.29Å; V200-W240 HydrophobicContact CB-CE3 4.12Å; V200-W240 HydrophobicContact CB-CZ3 4.45Å; V200-W240 HydrophobicContact CG1-CB 4.31Å; V200-W240 HydrophobicContact CG1-CD2 3.64Å; V200-W240 HydrophobicContact CG1-CE3 3.98Å; V200-W240 HydrophobicContact CG1-CG 3.82Å; V200-W240 HydrophobicContact CG1-CZ2 4.36Å; V200-W240 HydrophobicContact CG2-CB 4.31Å; V200-W240 HydrophobicContact CG2-CD2 4.18Å; V200-W240 HydrophobicContact CG2-CE3 3.82Å; V200-W240 HydrophobicContact CG2-CG 4.44Å; V200-W240 HydrophobicContact CG2-CZ3 4.44Å; V200-T242 HydrophobicContact CG2-CG2 4.33Å; V200-Q297 PolarHBondContact O-OE1 2.96Å
201	I	81.1	Confident	86.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.			trans	-83.4	121.9	-174.4	-55.2	178.1	0	0	0	108.6	E206 N207 I210 I229 W240 F251 M270 W283	I201-E206 HydrophobicContact CG2-CB 4.29Å; I201-E206 HydrophobicContact CG2-CG 4.23Å; I201-N207 WeakPolarHBondContact CD1-OD1 3.39Å; I201-N207 HydrophobicContact CG2-CB 3.8Å; I201-I210 HydrophobicContact CD1-CD1 3.94Å; I201-I210 HydrophobicContact CG1-CD1 3.86Å; I201-I229 HydrophobicContact CD1-CD1 4.2Å; I201-W240 HydrophobicContact CB-CH2 4.39Å; I201-W240 VanDerWaalsContact O-CZ2 3.29Å; I201-W240 WeakPolarHBondContact O-CZ2 3.03Å; I201-F251 HydrophobicContact CG2-CD1 4.25Å; I201-F251 HydrophobicContact CG2-CE1 4.25Å; I201-M270 HydrophobicContact CD1-CE 4.1Å; I201-M270 HydrophobicContact CD1-CG 4.39Å; I201-M270 HydrophobicContact CD1-SD 3.52Å; I201-M270 VanDerWaalsContact CD1-SD 3.52Å; I201-W283 HydrophobicContact CB-CH2 4.4Å; I201-W283 HydrophobicContact CB-CZ2 3.7Å; I201-W283 HydrophobicContact CD1-CZ2 4.33Å; I201-W283 HydrophobicContact CG2-CZ2 3.82Å
202	T	75	Confident	86.8	Confident	62 Å²	62	31 Å²	31	38%	0.38	17%	0.171	S	C	.	.			trans	-113.7	-9.5	-172.6	65.3	0	0	0	0	113.8	V200 E206	V200-T202 HydrophobicContact CG1-CG2 4.25Å; T202-E206 PolarHBondContact N-OE2 2.97Å; T202-E206 PolarHBondContact OG1-OE2 2.95Å
203	S	76.2	Confident	86.8	Confident	14 Å²	14	26 Å²	26	10%	0.098	15%	0.145	C	C	.	.	S	Bend	trans	-145.5	160.4	-176.8	59.6	0	0	0	0	113.1	E205 E206 N207	S203-E205 VanDerWaalsContact C-N 3.33Å; S203-E205 WeakPolarHBondContact CB-OE2 3.02Å; S203-E206 PolarHBondContact N-OE2 3.32Å; S203-E206 WeakPolarHBondContact OG-CB 3.29Å; S203-E206 PolarHBondContact OG-N 3.04Å; S203-N207 PolarHBondContact O-N 2.82Å; S203-N207 VanDerWaalsContact O-N 3.16Å
204	Q	78.1	Confident	86.8	Confident	29 Å²	29	18 Å²	18	14%	0.136	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-40.8	176.2	174.6	78.5	71	0	0	110.1	S49 E206 N207 D208 F251 Y280	S49-Q204 PolarHBondContact O-NE2 3.32Å; Q204-E206 VanDerWaalsContact C-N 3.35Å; Q204-E206 PolarHBondContact O-N 2.84Å; Q204-N207 WeakPolarHBondContact O-CB 3.41Å; Q204-N207 PolarHBondContact O-N 3.07Å; Q204-N207 VanDerWaalsContact O-N 3.12Å; Q204-D208 PolarHBondContact NE2-OD1 2.95Å; Q204-D208 WeakPolarHBondContact O-CB 2.99Å; Q204-D208 PolarHBondContact O-N 2.8Å; Q204-F251 HydrophobicContact CB-CD2 3.73Å; Q204-F251 HydrophobicContact CB-CE2 3.93Å; Q204-F251 HydrophobicContact CB-CG 4.41Å; Q204-F251 VanDerWaalsContact CD-CE2 3.49Å; Q204-F251 HydrophobicContact CG-CE2 4.28Å; Q204-F251 VanDerWaalsContact OE1-CE2 3.23Å; Q204-Y280 PolarHBondContact NE2-OH 3.26Å; Q204-Y280 VanDerWaalsContact NE2-OH 3.12Å
205	E	84.4	Confident	86.7	Confident	89 Å²	89	16.6 Å²	16.6	42%	0.416	11%	0.109	S	C	.	.	H	α-helix	trans	-64.3	-39.3	-178.5	-56	95	136.9	0	0	111.9	F169 S203 D208 F209	F169-E205 HydrophobicContact CZ-CB 4.05Å; S203-E205 VanDerWaalsContact C-N 3.33Å; S203-E205 WeakPolarHBondContact CB-OE2 3.02Å; E205-D208 PolarHBondContact O-N 3.42Å; E205-F209 VanDerWaalsContact O-CB 3.29Å; E205-F209 WeakPolarHBondContact O-CB 3.31Å; E205-F209 PolarHBondContact O-N 3.46Å
206	E	88.3	Confident	86.7	Confident	4 Å²	4	15.3 Å²	15.3	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-38.7	173	-174.1	177.2	-159.7	0	0	111.4	F169 K172 F174 I201 T202 S203 Q204 I210	F169-E206 HydrophobicContact CD1-CB 4.25Å; F169-E206 HydrophobicContact CD1-CG 4.17Å; F169-E206 HydrophobicContact CE1-CB 3.61Å; F169-E206 HydrophobicContact CE1-CG 4.01Å; F169-E206 HydrophobicContact CZ-CB 4.03Å; K172-E206 IonicContact NZ-OE1 3.31Å; K172-E206 PolarHBondContact NZ-OE1 2.04Å; F174-E206 HydrophobicContact CZ-CG 4.1Å; F174-E206 WeakPolarHBondContact CZ-OE1 3.39Å; I201-E206 HydrophobicContact CG2-CB 4.29Å; I201-E206 HydrophobicContact CG2-CG 4.23Å; T202-E206 PolarHBondContact N-OE2 2.97Å; T202-E206 PolarHBondContact OG1-OE2 2.95Å; S203-E206 PolarHBondContact N-OE2 3.32Å; S203-E206 WeakPolarHBondContact OG-CB 3.29Å; S203-E206 PolarHBondContact OG-N 3.04Å; Q204-E206 VanDerWaalsContact C-N 3.35Å; Q204-E206 PolarHBondContact O-N 2.84Å; E206-I210 HydrophobicContact CG-CD1 4.04Å; E206-I210 WeakPolarHBondContact O-CB 3.19Å; E206-I210 WeakPolarHBondContact O-CD1 3.43Å; E206-I210 WeakPolarHBondContact O-CG1 3.47Å; E206-I210 PolarHBondContact O-N 2.88Å
207	N	87.5	Confident	86.4	Confident	2 Å²	2	17.6 Å²	17.6	1%	0.011	10%	0.099	C	C	.	.	H	α-helix	trans	-67.2	-40.4	175.2	-163	76.9	0	0	0	112.7	I201 S203 Q204 S211 F251 M270 Y280 W283	I201-N207 WeakPolarHBondContact CD1-OD1 3.39Å; I201-N207 HydrophobicContact CG2-CB 3.8Å; S203-N207 PolarHBondContact O-N 2.82Å; S203-N207 VanDerWaalsContact O-N 3.16Å; Q204-N207 WeakPolarHBondContact O-CB 3.41Å; Q204-N207 PolarHBondContact O-N 3.07Å; Q204-N207 VanDerWaalsContact O-N 3.12Å; N207-S211 WeakPolarHBondContact O-CB 3.48Å; N207-S211 PolarHBondContact O-N 3.17Å; N207-S211 PolarHBondContact O-OG 3.24Å; N207-F251 HydrophobicContact CB-CD1 4.36Å; N207-F251 HydrophobicContact CB-CE1 3.46Å; N207-F251 VanDerWaalsContact CB-CE1 3.46Å; N207-F251 HydrophobicContact CB-CZ 3.66Å; N207-M270 WeakPolarHBondContact OD1-CE 3.12Å; N207-Y280 VanDerWaalsContact ND2-CZ 3.35Å; N207-Y280 PolarHBondContact ND2-OH 2.89Å; N207-W283 PolarHBondContact OD1-NE1 3.34Å
208	D	87.7	Confident	85.2	Confident	23 Å²	23	17.7 Å²	17.7	12%	0.123	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-43.9	178.7	-70	-9.7	0	0	0	110.6	Q51 Q204 E205 S211 D212 Y280	Q51-D208 HydrophobicContact CG-CB 4.29Å; Q51-D208 VanDerWaalsContact CG-OD1 3.28Å; Q51-D208 WeakPolarHBondContact CG-OD1 3.47Å; Q204-D208 PolarHBondContact NE2-OD1 2.95Å; Q204-D208 WeakPolarHBondContact O-CB 2.99Å; Q204-D208 PolarHBondContact O-N 2.8Å; E205-D208 PolarHBondContact O-N 3.42Å; D208-S211 PolarHBondContact O-N 2.97Å; D208-D212 PolarHBondContact O-N 3.21Å; D208-Y280 WeakPolarHBondContact OD1-CE2 3.49Å; D208-Y280 PolarHBondContact OD1-OH 3.28Å; D208-Y280 VanDerWaalsContact OD1-OH 3.1Å
209	F	91.8	Very high	83.4	Confident	4 Å²	4	22 Å²	22	2%	0.018	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-51	175.2	-176.1	-89.1	0	0	0	112.1	F62 F97 I167 L168 F169 E205 S211 D212 V213	F62-F209 HydrophobicContact CE1-CE2 4.43Å; F62-F209 HydrophobicContact CE1-CZ 4.09Å; F62-F209 HydrophobicContact CE2-CE2 4.49Å; F62-F209 HydrophobicContact CZ-CD2 4.13Å; F62-F209 AromaticContact CZ-CE1 4Å; F62-F209 HydrophobicContact CZ-CE1 4Å; F62-F209 AromaticContact CZ-CE2 3.6Å; F62-F209 HydrophobicContact CZ-CE2 3.6Å; F62-F209 AromaticContact CZ-CZ 3.52Å; F62-F209 HydrophobicContact CZ-CZ 3.52Å; F97-F209 HydrophobicContact CE1-CE2 4.39Å; F97-F209 HydrophobicContact CZ-CE2 4.35Å; I167-F209 HydrophobicContact CG2-CE1 3.67Å; I167-F209 HydrophobicContact CG2-CZ 3.57Å; L168-F209 WeakPolarHBondContact O-CZ 3.4Å; F169-F209 HydrophobicContact CB-CD1 3.88Å; F169-F209 HydrophobicContact CB-CE1 3.64Å; F169-F209 HydrophobicContact CB-CE2 4.32Å; F169-F209 HydrophobicContact CB-CG 4.34Å; F169-F209 HydrophobicContact CB-CZ 3.85Å; F169-F209 HydrophobicContact CD2-CB 3.85Å; F169-F209 AromaticContact CD2-CD1 3.93Å; F169-F209 HydrophobicContact CD2-CD1 3.93Å; F169-F209 AromaticContact CD2-CD2 3.49Å; F169-F209 HydrophobicContact CD2-CD2 3.49Å; F169-F209 VanDerWaalsContact CD2-CD2 3.49Å; F169-F209 HydrophobicContact CD2-CE1 4.29Å; F169-F209 AromaticContact CD2-CE2 3.85Å; F169-F209 HydrophobicContact CD2-CE2 3.85Å; F169-F209 AromaticContact CD2-CG 3.49Å; F169-F209 HydrophobicContact CD2-CG 3.49Å; F169-F209 VanDerWaalsContact CD2-CG 3.49Å; F169-F209 HydrophobicContact CD2-CZ 4.23Å; F169-F209 HydrophobicContact CE2-CB 3.93Å; F169-F209 HydrophobicContact CE2-CD2 4.11Å; F169-F209 HydrophobicContact CE2-CG 4.08Å; F169-F209 HydrophobicContact CG-CD1 4.14Å; F169-F209 HydrophobicContact CG-CD2 4.43Å; F169-F209 HydrophobicContact CG-CE1 4.35Å; F169-F209 HydrophobicContact CG-CG 4.17Å; E205-F209 VanDerWaalsContact O-CB 3.29Å; E205-F209 WeakPolarHBondContact O-CB 3.31Å; E205-F209 PolarHBondContact O-N 3.46Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 3.23Å; F209-D212 WeakPolarHBondContact O-CB 3.13Å; F209-D212 PolarHBondContact O-N 3.49Å; F209-V213 HydrophobicContact CE1-CG2 4.41Å; F209-V213 PolarHBondContact O-N 2.88Å; F209-V213 VanDerWaalsContact O-N 3.11Å
210	I	92	Very high	81.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-39.3	177.7	-66.5	166.9	0	0	0	110.4	F174 F176 I201 E206 D212 V213 L214 M270	F174-I210 HydrophobicContact CD1-CD1 3.95Å; F174-I210 HydrophobicContact CD1-CG1 4.35Å; F174-I210 HydrophobicContact CE1-CD1 3.64Å; F174-I210 HydrophobicContact CE1-CG1 4.44Å; F174-I210 HydrophobicContact CG-CG1 4.48Å; F174-I210 HydrophobicContact CZ-CD1 3.97Å; F176-I210 HydrophobicContact CE1-CG2 4.02Å; F176-I210 HydrophobicContact CZ-CG2 4.31Å; I201-I210 HydrophobicContact CD1-CD1 3.94Å; I201-I210 HydrophobicContact CG1-CD1 3.86Å; E206-I210 HydrophobicContact CG-CD1 4.04Å; E206-I210 WeakPolarHBondContact O-CB 3.19Å; E206-I210 WeakPolarHBondContact O-CD1 3.43Å; E206-I210 WeakPolarHBondContact O-CG1 3.47Å; E206-I210 PolarHBondContact O-N 2.88Å; I210-D212 VanDerWaalsContact C-N 3.34Å; I210-D212 PolarHBondContact O-N 3.22Å; I210-V213 PolarHBondContact O-N 3.29Å; I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.22Å; I210-L214 WeakPolarHBondContact O-CB 3.37Å; I210-L214 VanDerWaalsContact O-CG 3.24Å; I210-L214 WeakPolarHBondContact O-CG 3.44Å; I210-L214 PolarHBondContact O-N 2.72Å; I210-M270 HydrophobicContact CB-CE 4.3Å; I210-M270 HydrophobicContact CB-SD 4.42Å; I210-M270 HydrophobicContact CG2-CE 3.85Å; I210-M270 HydrophobicContact CG2-SD 3.49Å; I210-M270 WeakPolarHBondContact CG2-SD 2.99Å
211	S	89.2	Confident	79.2	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-38.5	175.3	-62.6	0	0	0	0	112.5	N207 D208 F209 L214 S215 M270 Y280 Y281	N207-S211 WeakPolarHBondContact O-CB 3.48Å; N207-S211 PolarHBondContact O-N 3.17Å; N207-S211 PolarHBondContact O-OG 3.24Å; D208-S211 PolarHBondContact O-N 2.97Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 3.23Å; S211-L214 PolarHBondContact O-N 2.03Å; S211-S215 WeakPolarHBondContact O-CB 3.33Å; S211-S215 PolarHBondContact O-N 2.99Å; S211-M270 WeakPolarHBondContact OG-CE 3.42Å; S211-Y280 WeakPolarHBondContact OG-CE2 3.39Å; S211-Y281 PolarHBondContact OG-O 3.49Å
212	D	89.8	Confident	77.7	Confident	9 Å²	9	45.8 Å²	45.8	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-50.2	175	-162.7	71	0	0	0	110.9	R60 F62 D208 F209 I210 L214 S215 T216	R60-D212 IonicContact CZ-OD1 3.61Å; R60-D212 VanDerWaalsContact CZ-OD1 3.32Å; R60-D212 IonicContact NH1-OD1 3.2Å; R60-D212 PolarHBondContact NH1-OD1 3.14Å; R60-D212 IonicContact NH1-OD2 2.92Å; R60-D212 PolarHBondContact NH1-OD2 2.96Å; R60-D212 IonicContact NH2-OD1 3.91Å; R60-D212 PolarHBondContact NH2-OD1 2.88Å; R60-D212 IonicContact NH2-OD2 2.74Å; F62-D212 HydrophobicContact CD2-CB 4.48Å; F62-D212 WeakPolarHBondContact CD2-OD2 3.14Å; F62-D212 HydrophobicContact CE2-CB 4.22Å; D208-D212 PolarHBondContact O-N 3.21Å; F209-D212 WeakPolarHBondContact O-CB 3.13Å; F209-D212 PolarHBondContact O-N 3.49Å; I210-D212 VanDerWaalsContact C-N 3.34Å; I210-D212 PolarHBondContact O-N 3.22Å; D212-L214 PolarHBondContact O-N 3.02Å; D212-S215 PolarHBondContact O-N 3.44Å; D212-S215 PolarHBondContact O-OG 2.99Å; D212-T216 PolarHBondContact O-N 3.44Å
213	V	91.3	Very high	76.5	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-54.5	-54.1	174.6	-178.3	0	0	0	0	110.8	F62 I167 F176 F209 I210 S215 T216 L217	F62-V213 HydrophobicContact CD1-CG2 4.23Å; F62-V213 HydrophobicContact CD2-CB 4.15Å; F62-V213 HydrophobicContact CD2-CG2 3.5Å; F62-V213 VanDerWaalsContact CD2-CG2 3.5Å; F62-V213 HydrophobicContact CE1-CG2 4.05Å; F62-V213 HydrophobicContact CE2-CB 4.31Å; F62-V213 HydrophobicContact CE2-CG2 3.28Å; F62-V213 HydrophobicContact CG-CG2 3.98Å; F62-V213 HydrophobicContact CZ-CG2 3.58Å; I167-V213 HydrophobicContact CD1-CG1 3.78Å; I167-V213 HydrophobicContact CD1-CG2 3.92Å; F176-V213 HydrophobicContact CD1-CG1 4.04Å; F176-V213 HydrophobicContact CD2-CG1 3.86Å; F176-V213 HydrophobicContact CE1-CB 4.02Å; F176-V213 HydrophobicContact CE1-CG1 3.79Å; F176-V213 HydrophobicContact CE2-CB 4.2Å; F176-V213 HydrophobicContact CE2-CG1 3.62Å; F176-V213 HydrophobicContact CE2-CG2 4.22Å; F176-V213 HydrophobicContact CG-CG1 4.07Å; F176-V213 HydrophobicContact CZ-CB 3.73Å; F176-V213 HydrophobicContact CZ-CG1 3.58Å; F176-V213 HydrophobicContact CZ-CG2 3.97Å; F209-V213 HydrophobicContact CE1-CG2 4.41Å; F209-V213 PolarHBondContact O-N 2.88Å; F209-V213 VanDerWaalsContact O-N 3.11Å; I210-V213 PolarHBondContact O-N 3.29Å; V213-S215 PolarHBondContact O-N 3.06Å; V213-T216 PolarHBondContact O-N 2.85Å; V213-T216 PolarHBondContact O-OG1 3.43Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 HydrophobicContact CG1-CG 4.26Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 2.96Å; V213-L217 VanDerWaalsContact O-N 3.15Å
214	L	89.4	Confident	75.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.9	-31.4	-176	-71.6	179.9	0	0	0	113.3	F176 I210 S211 D212 L217 S218 W227 M270 Y281 V295	F176-L214 HydrophobicContact CD1-CD2 3.57Å; F176-L214 HydrophobicContact CD1-CG 4.32Å; F176-L214 HydrophobicContact CE1-CD2 3.76Å; F176-L214 HydrophobicContact CE1-CG 3.99Å; I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.22Å; I210-L214 WeakPolarHBondContact O-CB 3.37Å; I210-L214 VanDerWaalsContact O-CG 3.24Å; I210-L214 WeakPolarHBondContact O-CG 3.44Å; I210-L214 PolarHBondContact O-N 2.72Å; S211-L214 PolarHBondContact O-N 2.03Å; D212-L214 PolarHBondContact O-N 3.02Å; L214-L217 PolarHBondContact O-N 3.26Å; L214-S218 PolarHBondContact O-OG 3.1Å; L214-W227 HydrophobicContact CD1-CG 4.33Å; L214-W227 HydrophobicContact CD2-CB 4.5Å; L214-W227 HydrophobicContact CD2-CD2 3.38Å; L214-W227 VanDerWaalsContact CD2-CE2 3.46Å; L214-W227 HydrophobicContact CD2-CE3 3.71Å; L214-W227 HydrophobicContact CD2-CG 3.74Å; L214-W227 HydrophobicContact CD2-CH2 4.17Å; L214-W227 HydrophobicContact CD2-CZ2 3.87Å; L214-W227 HydrophobicContact CD2-CZ3 4.09Å; L214-M270 HydrophobicContact CD1-CB 3.99Å; L214-M270 HydrophobicContact CD1-CE 4.15Å; L214-M270 HydrophobicContact CD1-SD 3.88Å; L214-Y281 HydrophobicContact CB-CD1 4.18Å; L214-Y281 HydrophobicContact CB-CD2 3.61Å; L214-Y281 HydrophobicContact CB-CE1 4.09Å; L214-Y281 HydrophobicContact CB-CE2 3.53Å; L214-Y281 HydrophobicContact CB-CG 3.96Å; L214-Y281 HydrophobicContact CD1-CD1 3.74Å; L214-Y281 HydrophobicContact CD1-CD2 4.33Å; L214-Y281 HydrophobicContact CD1-CE1 4.22Å; L214-Y281 HydrophobicContact CD1-CG 3.81Å; L214-Y281 PolarHBondContact O-OH 3.13Å; L214-V295 HydrophobicContact CD2-CG2 4.27Å
215	S	84.2	Confident	75	Confident	16 Å²	16	55 Å²	55	11%	0.112	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-41.5	175	75.2	0	0	0	0	112.3	R60 S211 D212 V213 L217 S218 D279	R60-S215 PolarHBondContact NH2-OG 3.44Å; S211-S215 WeakPolarHBondContact O-CB 3.33Å; S211-S215 PolarHBondContact O-N 2.99Å; D212-S215 PolarHBondContact O-N 3.44Å; D212-S215 PolarHBondContact O-OG 2.99Å; V213-S215 PolarHBondContact O-N 3.06Å; S215-L217 VanDerWaalsContact C-N 3.32Å; S215-L217 PolarHBondContact O-N 3.33Å; S215-S218 PolarHBondContact O-N 3.31Å; S215-D279 VanDerWaalsContact CB-O 3.29Å; S215-D279 WeakPolarHBondContact CB-O 3.35Å
216	T	84.6	Confident	75	Confident	25 Å²	25	51.6 Å²	51.6	15%	0.153	24%	0.243	C	C	.	.	H	α-helix	trans	-71.5	-24.5	177	67	0	0	0	0	113.2	R60 D212 V213 S218	R60-T216 HydrophobicContact CG-CG2 4.11Å; D212-T216 PolarHBondContact O-N 3.44Å; V213-T216 PolarHBondContact O-N 2.85Å; V213-T216 PolarHBondContact O-OG1 3.43Å; T216-S218 VanDerWaalsContact C-N 3.28Å; T216-S218 PolarHBondContact O-N 2.96Å
217	L	80.7	Confident	75.2	Confident	66 Å²	66	51.4 Å²	51.4	35%	0.346	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	2.4	174.8	-62.3	178.5	0	0	0	114.3	F176 V213 L214 S215 K225 W227	F176-L217 HydrophobicContact CB-CD1 3.57Å; F176-L217 HydrophobicContact CD1-CD1 3.99Å; F176-L217 HydrophobicContact CG-CD1 3.84Å; V213-L217 HydrophobicContact CG1-CD1 3.88Å; V213-L217 HydrophobicContact CG1-CG 4.26Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 2.96Å; V213-L217 VanDerWaalsContact O-N 3.15Å; L214-L217 PolarHBondContact O-N 3.26Å; S215-L217 VanDerWaalsContact C-N 3.32Å; S215-L217 PolarHBondContact O-N 3.33Å; L217-K225 PolarHBondContact O-NZ 2.89Å; L217-W227 HydrophobicContact CB-CZ2 4.36Å; L217-W227 HydrophobicContact CD1-CH2 3.97Å; L217-W227 HydrophobicContact CD1-CZ2 4.44Å
218	S	66.9	Low	75.4	Confident	17 Å²	17	51.3 Å²	51.3	12%	0.119	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	11.3	-171.7	-72.4	0	0	0	0	115.6	L214 S215 T216 Y281	L214-S218 PolarHBondContact O-OG 3.1Å; S215-S218 PolarHBondContact O-N 3.31Å; T216-S218 VanDerWaalsContact C-N 3.28Å; T216-S218 PolarHBondContact O-N 2.96Å; S218-Y281 PolarHBondContact OG-OH 3.31Å
219	E	55.2	Low	75.5	Confident	89 Å²	89	50.2 Å²	50.2	42%	0.416	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	133.3	169	-57.7	-167.8	156.3	0	0	110.9
220	H	48.9	Very low	75.3	Confident	175 Å²	175	50 Å²	50	81%	0.81	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	26.2	164.7	-55.1	93.5	0	0	0	122.3
221	V	41.9	Very low	74.9	Confident	81 Å²	81	50 Å²	50	49%	0.491	24%	0.235	S	C	.	.			trans	-130.9	133.9	165.9	-168.6	0	0	0	0	113.6	R223	V221-R223 PolarHBondContact O-N 2.93Å
222	R	49.2	Very low	74.6	Confident	252 Å²	252	53.4 Å²	53.4	95%	0.951	25%	0.247	S	C	*	.	S	Bend	trans	-66.5	17.6	-167.8	-63.6	-179.4	175.4	175.3	-2.4	117.2
223	R	50.2	Low	74	Confident	204 Å²	204	56.1 Å²	56.1	77%	0.77	26%	0.257	S	S	*	.	S	Bend	trans	-142	139.3	-179.7	-66.3	-174.7	177.3	175.2	-0.5	110.9	V221 K225	V221-R223 PolarHBondContact O-N 2.93Å; R223-K225 PolarHBondContact O-N 3.16Å
224	P	52.6	Low	72.9	Confident	70 Å²	70	59.7 Å²	59.7	46%	0.455	27%	0.273	S	S	.	.			trans	-61.3	121.3	173.4	26.5	-33.4	0	0	0	109.4
225	K	68.6	Low	71.9	Confident	24 Å²	24	68 Å²	68	10%	0.104	31%	0.312	C	S	.	.			trans	-78.8	130	-178.5	-60.6	-177.9	-173.5	178	0	110	N178 L217 R223 W227	N178-K225 PolarHBondContact OD1-NZ 2.69Å; L217-K225 PolarHBondContact O-NZ 2.89Å; R223-K225 PolarHBondContact O-N 3.16Å; K225-W227 HydrophobicContact CD-CZ2 4.32Å
226	S	85.5	Confident	70.9	Confident	19 Å²	19	70.6 Å²	70.6	13%	0.133	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.4	164.8	-55	0	0	0	0	108.4	M270 W271 P293	S226-M270 CarbonylContact C-O 3.52Å; S226-M270 VanDerWaalsContact CA-O 3.3Å; S226-M270 WeakPolarHBondContact CA-O 3.5Å; S226-W271 VanDerWaalsContact OG-CD1 3.31Å; S226-P293 VanDerWaalsContact O-CD 3.25Å; S226-P293 WeakPolarHBondContact O-CD 3.34Å; S226-P293 WeakPolarHBondContact O-CG 3.28Å
227	W	91.4	Very high	69.8	Low	0 Å²	0	71 Å²	71	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.7	-175.8	-67.9	71.9	0	0	0	110.9	F176 N178 L214 L217 K225 I229 V269 M270 Y281 P293 V295	F176-W227 HydrophobicContact CB-CH2 4.31Å; F176-W227 HydrophobicContact CB-CZ3 3.93Å; F176-W227 HydrophobicContact CD1-CZ3 4.31Å; N178-W227 HydrophobicContact CB-CH2 3.84Å; N178-W227 HydrophobicContact CB-CZ2 4.45Å; L214-W227 HydrophobicContact CD1-CG 4.33Å; L214-W227 HydrophobicContact CD2-CB 4.5Å; L214-W227 HydrophobicContact CD2-CD2 3.38Å; L214-W227 VanDerWaalsContact CD2-CE2 3.46Å; L214-W227 HydrophobicContact CD2-CE3 3.71Å; L214-W227 HydrophobicContact CD2-CG 3.74Å; L214-W227 HydrophobicContact CD2-CH2 4.17Å; L214-W227 HydrophobicContact CD2-CZ2 3.87Å; L214-W227 HydrophobicContact CD2-CZ3 4.09Å; L217-W227 HydrophobicContact CB-CZ2 4.36Å; L217-W227 HydrophobicContact CD1-CH2 3.97Å; L217-W227 HydrophobicContact CD1-CZ2 4.44Å; K225-W227 HydrophobicContact CD-CZ2 4.32Å; W227-I229 PolarHBondContact O-N 3.35Å; W227-V269 CarbonylContact O-C 3.58Å; W227-V269 WeakPolarHBondContact O-CA 3.33Å; W227-V269 WeakPolarHBondContact O-CB 3.4Å; W227-M270 HydrophobicContact CB-CB 4.5Å; W227-M270 PolarHBondContact N-O 3.2Å; W227-M270 PolarHBondContact O-N 3.27Å; W227-Y281 AromaticContact CD1-CE1 3.83Å; W227-P293 CarbonylContact C-O 3.53Å; W227-P293 VanDerWaalsContact CA-O 3.29Å; W227-P293 WeakPolarHBondContact CA-O 3.05Å; W227-P293 HydrophobicContact CD2-CB 3.7Å; W227-P293 HydrophobicContact CD2-CG 3.61Å; W227-P293 HydrophobicContact CE3-CB 3.64Å; W227-P293 HydrophobicContact CE3-CG 4.1Å; W227-P293 HydrophobicContact CG-CB 4.34Å; W227-P293 HydrophobicContact CG-CG 3.81Å; W227-P293 HydrophobicContact CH2-CB 4.14Å; W227-P293 HydrophobicContact CZ2-CB 4.19Å; W227-P293 HydrophobicContact CZ2-CG 4.33Å; W227-P293 HydrophobicContact CZ3-CB 3.87Å; W227-V295 HydrophobicContact CB-CG2 4.3Å; W227-V295 HydrophobicContact CE3-CG2 3.95Å
228	Y	92.7	Very high	69.3	Low	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	135.7	176.2	-73.2	-58.6	0	0	0	111.9	F184 C267 V269 T286 N287 C288 K290 L292 P293 V295	F184-Y228 HydrophobicContact CB-CD1 4.45Å; F184-Y228 HydrophobicContact CB-CE1 4.15Å; F184-Y228 HydrophobicContact CB-CE2 4.39Å; F184-Y228 AromaticContact CD2-CD1 3.75Å; F184-Y228 HydrophobicContact CD2-CD1 3.75Å; F184-Y228 HydrophobicContact CD2-CE1 4.14Å; F184-Y228 HydrophobicContact CD2-CG 4.16Å; Y228-C267 HydrophobicContact CD1-CB 4.27Å; Y228-C267 HydrophobicContact CE1-CB 3.9Å; Y228-V269 HydrophobicContact CD1-CG1 3.59Å; Y228-V269 HydrophobicContact CE1-CG1 3.99Å; Y228-V269 HydrophobicContact CG-CG1 4.3Å; Y228-T286 HydrophobicContact CD1-CG2 4.33Å; Y228-T286 HydrophobicContact CE1-CG2 3.55Å; Y228-N287 PolarHBondContact OH-O 3.23Å; Y228-N287 VanDerWaalsContact OH-O 3.12Å; Y228-C288 VanDerWaalsContact OH-C 3.29Å; Y228-C288 PolarHBondContact OH-O 3.16Å; Y228-C288 VanDerWaalsContact OH-O 3.09Å; Y228-K290 PolarHBondContact OH-O 3.41Å; Y228-L292 HydrophobicContact CD2-CB 3.87Å; Y228-L292 HydrophobicContact CE1-CD1 4.08Å; Y228-L292 HydrophobicContact CE2-CB 3.66Å; Y228-L292 HydrophobicContact CE2-CD1 4.14Å; Y228-L292 HydrophobicContact CE2-CG 4.23Å; Y228-P293 PolarHBondContact N-O 3.48Å; Y228-V295 PolarHBondContact O-N 3.01Å
229	I	90.5	Very high	69.3	Low	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	166.7	168.1	61.9	168.6	0	0	0	108.7	F184 A199 I201 W227 G231 W240 V268 M270 W283	F184-I229 WeakPolarHBondContact CE2-O 3.26Å; A199-I229 HydrophobicContact CB-CB 4.5Å; A199-I229 HydrophobicContact CB-CG2 4.22Å; I201-I229 HydrophobicContact CD1-CD1 4.2Å; W227-I229 PolarHBondContact O-N 3.35Å; I229-G231 PolarHBondContact O-N 2.92Å; I229-W240 HydrophobicContact CD1-CH2 4.17Å; I229-W240 HydrophobicContact CD1-CZ3 4.24Å; I229-V268 HydrophobicContact CD1-CG1 3.82Å; I229-V268 HydrophobicContact CG1-CB 4.11Å; I229-V268 HydrophobicContact CG1-CG1 3.87Å; I229-V268 PolarHBondContact N-O 3.27Å; I229-M270 HydrophobicContact CD1-CG 4.11Å; I229-M270 HydrophobicContact CG2-CG 3.83Å; I229-M270 HydrophobicContact CG2-SD 4.01Å; I229-W283 HydrophobicContact CD1-CD2 4.33Å; I229-W283 HydrophobicContact CD1-CG 4.45Å
230	G	86.5	Confident	70.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	24.6	-163.2	0	0	0	0	0	117.2	L198 A199 W240 Q241	L198-G230 VanDerWaalsContact CB-CA 3.42Å; A199-G230 PolarHBondContact O-N 2.92Å; G230-W240 CarbonylContact O-C 3.54Å; G230-W240 WeakPolarHBondContact O-CA 3.38Å; G230-Q241 PolarHBondContact O-N 3.21Å
231	G	83.9	Confident	70.9	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.4	178.3	0	0	0	0	0	112.5	I229 V268	I229-G231 PolarHBondContact O-N 2.92Å; G231-V268 WeakPolarHBondContact O-CG2 3.05Å; G231-V268 PolarHBondContact O-N 3.04Å
232	R	82.7	Confident	71.6	Confident	71 Å²	71	59.9 Å²	59.9	27%	0.268	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	149.1	177.9	-168.1	175.1	-174.6	150.2	7.4	111.1	F184 D185 E188 K239 D266	F184-R232 HydrophobicContact CE1-CB 4.46Å; F184-R232 HydrophobicContact CZ-CB 4.18Å; D185-R232 IonicContact OD1-CZ 2.68Å; D185-R232 VanDerWaalsContact OD1-CZ 3.26Å; D185-R232 IonicContact OD1-NH1 3.35Å; D185-R232 PolarHBondContact OD1-NH1 3.26Å; D185-R232 IonicContact OD1-NH2 3.38Å; D185-R232 PolarHBondContact OD1-NH2 3.08Å; E188-R232 IonicContact OE2-NH1 2.68Å; R232-K239 PolarHBondContact N-O 3.2Å; R232-K239 PolarHBondContact O-N 3.34Å; R232-D266 CarbonylContact C-O 3.51Å; R232-D266 WeakPolarHBondContact CA-O 3.38Å; R232-D266 WeakPolarHBondContact CG-O 3.49Å
233	R	76.7	Confident	71.6	Confident	67 Å²	67	54.5 Å²	54.5	25%	0.253	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.4	172.3	-162.4	171.6	65.8	167.5	1.4	109.1	S237 W238 R263 D266	R233-S237 CarbonylContact C-O 3.4Å; R233-S237 VanDerWaalsContact CA-O 3.3Å; R233-S237 WeakPolarHBondContact CA-O 3.39Å; R233-W238 HydrophobicContact CB-CD2 3.99Å; R233-W238 HydrophobicContact CB-CE3 3.8Å; R233-W238 HydrophobicContact CB-CH2 4.01Å; R233-W238 HydrophobicContact CB-CZ2 4.16Å; R233-W238 HydrophobicContact CB-CZ3 3.82Å; R233-W238 HydrophobicContact CG-CD2 4.19Å; R233-W238 HydrophobicContact CG-CZ2 4.36Å; R233-R263 PolarHBondContact NH2-O 2.73Å; R233-D266 HydrophobicContact CB-CB 4.4Å; R233-D266 IonicContact CZ-OD1 2.7Å; R233-D266 PolarHBondContact N-O 3.4Å; R233-D266 IonicContact NE-OD1 3.7Å; R233-D266 PolarHBondContact NE-OD1 3.44Å; R233-D266 IonicContact NH2-OD1 2.68Å; R233-D266 PolarHBondContact NH2-OD1 3.46Å; R233-D266 IonicContact NH2-OD2 3.32Å
234	Q	69.4	Low	71.6	Confident	77 Å²	77	52.4 Å²	52.4	36%	0.36	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	128	177.3	-63.6	-177.4	1.2	0	0	108.4	G236 S237 K239	Q234-G236 PolarHBondContact O-N 3.16Å; Q234-S237 PolarHBondContact N-O 2.69Å; Q234-S237 CarbonylContact O-C 3.51Å; Q234-S237 WeakPolarHBondContact O-CA 3.48Å; Q234-S237 PolarHBondContact O-N 3.06Å; Q234-S237 PolarHBondContact O-OG 3.06Å; Q234-K239 HydrophobicContact CB-CD 4.25Å
235	E	66.8	Low	71.4	Confident	174 Å²	174	52.7 Å²	52.7	81%	0.813	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.3	174.8	-54.4	163.1	133.5	0	0	113.2	S237 K239	E235-S237 PolarHBondContact O-N 2.96Å; E235-K239 IonicContact OE2-NZ 3.51Å; E235-K239 PolarHBondContact OE2-NZ 3.43Å
236	G	64.4	Low	70.6	Confident	72 Å²	72	52 Å²	52	74%	0.742	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-4.1	-175.7	0	0	0	0	0	115.1	Q234	Q234-G236 PolarHBondContact O-N 3.16Å
237	S	60.8	Low	68.7	Low	32 Å²	32	59.3 Å²	59.3	22%	0.224	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	155.1	174.4	75.1	0	0	0	0	111.3	R233 Q234 E235 K239	R233-S237 CarbonylContact C-O 3.4Å; R233-S237 VanDerWaalsContact CA-O 3.3Å; R233-S237 WeakPolarHBondContact CA-O 3.39Å; Q234-S237 PolarHBondContact N-O 2.69Å; Q234-S237 CarbonylContact O-C 3.51Å; Q234-S237 WeakPolarHBondContact O-CA 3.48Å; Q234-S237 PolarHBondContact O-N 3.06Å; Q234-S237 PolarHBondContact O-OG 3.06Å; E235-S237 PolarHBondContact O-N 2.96Å; S237-K239 VanDerWaalsContact OG-CE 3.26Å; S237-K239 WeakPolarHBondContact OG-CE 3.44Å
238	W	70.4	Confident	66.4	Low	29 Å²	29	66.4 Å²	66.4	11%	0.11	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.8	170.4	-69.6	97.4	0	0	0	108.9	R233 L246 W254 P256 I261 V268 A285	R233-W238 HydrophobicContact CB-CD2 3.99Å; R233-W238 HydrophobicContact CB-CE3 3.8Å; R233-W238 HydrophobicContact CB-CH2 4.01Å; R233-W238 HydrophobicContact CB-CZ2 4.16Å; R233-W238 HydrophobicContact CB-CZ3 3.82Å; R233-W238 HydrophobicContact CG-CD2 4.19Å; R233-W238 HydrophobicContact CG-CZ2 4.36Å; W238-L246 HydrophobicContact CB-CB 4.02Å; W238-L246 HydrophobicContact CB-CD1 3.77Å; W238-L246 WeakPolarHBondContact O-CB 3.46Å; W238-L246 PolarHBondContact O-N 3.11Å; W238-W254 HydrophobicContact CB-CZ3 4.31Å; W238-W254 AromaticContact CD2-CH2 3.52Å; W238-W254 HydrophobicContact CD2-CH2 3.52Å; W238-W254 HydrophobicContact CD2-CZ2 4.49Å; W238-W254 HydrophobicContact CD2-CZ3 4.2Å; W238-W254 AromaticContact CE2-CH2 3.8Å; W238-W254 AromaticContact CE3-CH2 3.62Å; W238-W254 HydrophobicContact CE3-CH2 3.62Å; W238-W254 HydrophobicContact CE3-CZ3 4.41Å; W238-W254 AromaticContact CG-CH2 3.94Å; W238-W254 HydrophobicContact CG-CH2 3.94Å; W238-W254 HydrophobicContact CG-CZ3 4.17Å; W238-W254 HydrophobicContact CH2-CH2 4.23Å; W238-W254 HydrophobicContact CH2-CZ2 4.44Å; W238-W254 HydrophobicContact CZ2-CH2 4.16Å; W238-W254 HydrophobicContact CZ2-CZ2 4.37Å; W238-W254 AromaticContact CZ3-CH2 3.98Å; W238-W254 HydrophobicContact CZ3-CH2 3.98Å; W238-P256 HydrophobicContact CG-CG 4.15Å; W238-P256 VanDerWaalsContact NE1-CB 3.31Å; W238-I261 HydrophobicContact CZ2-CD1 3.95Å; W238-I261 HydrophobicContact CZ2-CG2 4.37Å; W238-V268 HydrophobicContact CE3-CG2 3.68Å; W238-V268 HydrophobicContact CZ3-CG2 3.59Å; W238-A285 HydrophobicContact CH2-CB 3.88Å; W238-A285 HydrophobicContact CZ2-CB 4.09Å
239	K	67.4	Low	64	Low	37 Å²	37	67.2 Å²	67.2	16%	0.161	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	147.2	179.2	-54.9	-174.2	-160.1	162.4	0	110.4	R232 Q234 E235 S237 L246	R232-K239 PolarHBondContact N-O 3.2Å; R232-K239 PolarHBondContact O-N 3.34Å; Q234-K239 HydrophobicContact CB-CD 4.25Å; E235-K239 IonicContact OE2-NZ 3.51Å; E235-K239 PolarHBondContact OE2-NZ 3.43Å; S237-K239 VanDerWaalsContact OG-CE 3.26Å; S237-K239 WeakPolarHBondContact OG-CE 3.44Å; K239-L246 WeakPolarHBondContact O-CD1 3.39Å
240	W	73.9	Confident	61.6	Low	7 Å²	7	72.8 Å²	72.8	3%	0.027	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	159.7	163.3	-67.9	116.5	0	0	0	110	V200 I201 I229 G230 T242 D243 R244 L246 T249 W283	V200-W240 HydrophobicContact CB-CD2 4.29Å; V200-W240 HydrophobicContact CB-CE3 4.12Å; V200-W240 HydrophobicContact CB-CZ3 4.45Å; V200-W240 HydrophobicContact CG1-CB 4.31Å; V200-W240 HydrophobicContact CG1-CD2 3.64Å; V200-W240 HydrophobicContact CG1-CE3 3.98Å; V200-W240 HydrophobicContact CG1-CG 3.82Å; V200-W240 HydrophobicContact CG1-CZ2 4.36Å; V200-W240 HydrophobicContact CG2-CB 4.31Å; V200-W240 HydrophobicContact CG2-CD2 4.18Å; V200-W240 HydrophobicContact CG2-CE3 3.82Å; V200-W240 HydrophobicContact CG2-CG 4.44Å; V200-W240 HydrophobicContact CG2-CZ3 4.44Å; I201-W240 HydrophobicContact CB-CH2 4.39Å; I201-W240 VanDerWaalsContact O-CZ2 3.29Å; I201-W240 WeakPolarHBondContact O-CZ2 3.03Å; I229-W240 HydrophobicContact CD1-CH2 4.17Å; I229-W240 HydrophobicContact CD1-CZ3 4.24Å; G230-W240 CarbonylContact O-C 3.54Å; G230-W240 WeakPolarHBondContact O-CA 3.38Å; W240-T242 PolarHBondContact O-N 2.8Å; W240-D243 PolarHBondContact O-N 2.84Å; W240-R244 WeakPolarHBondContact CB-O 3.31Å; W240-R244 PolarHBondContact N-O 3.41Å; W240-L246 HydrophobicContact CD2-CD1 4.43Å; W240-L246 HydrophobicContact CD2-CD2 3.72Å; W240-L246 HydrophobicContact CD2-CG 3.83Å; W240-L246 HydrophobicContact CE3-CD2 4.2Å; W240-L246 HydrophobicContact CE3-CG 4.47Å; W240-L246 HydrophobicContact CG-CD2 4.34Å; W240-L246 HydrophobicContact CG-CG 3.98Å; W240-L246 HydrophobicContact CH2-CD2 3.85Å; W240-L246 HydrophobicContact CZ2-CD2 3.33Å; W240-L246 HydrophobicContact CZ2-CG 4.33Å; W240-L246 HydrophobicContact CZ3-CD2 4.25Å; W240-T249 HydrophobicContact CZ2-CG2 4.17Å; W240-W283 AromaticContact CH2-CH2 3.96Å; W240-W283 HydrophobicContact CH2-CH2 3.96Å; W240-W283 HydrophobicContact CH2-CZ2 4.41Å; W240-W283 HydrophobicContact CH2-CZ3 4.18Å; W240-W283 AromaticContact CZ2-CH2 3.74Å; W240-W283 HydrophobicContact CZ2-CH2 3.74Å; W240-W283 HydrophobicContact CZ2-CZ3 4.01Å
241	Q	63.1	Low	59.7	Low	52 Å²	52	73.4 Å²	73.4	24%	0.243	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-14.9	170.8	-78.5	175.9	-19.2	0	0	115.2	E188 G230 D243	E188-Q241 VanDerWaalsContact CG-NE2 3.28Å; E188-Q241 WeakPolarHBondContact OE1-CG 3.45Å; E188-Q241 PolarHBondContact OE1-NE2 3.05Å; G230-Q241 PolarHBondContact O-N 3.21Å; Q241-D243 VanDerWaalsContact C-N 3.27Å; Q241-D243 PolarHBondContact O-N 2.96Å
242	T	56.5	Low	57.9	Low	71 Å²	71	75.1 Å²	75.1	44%	0.436	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	24.1	-179.3	56.7	0	0	0	0	113.1	V200 W240 R244	V200-T242 HydrophobicContact CG2-CG2 4.33Å; W240-T242 PolarHBondContact O-N 2.8Å; T242-R244 PolarHBondContact O-N 2.98Å
243	D	50.2	Low	56.3	Low	139 Å²	139	75.1 Å²	75.1	74%	0.743	38%	0.378	S	S	*	.	S	Bend	trans	54.7	0.2	-168.9	-63.8	-41.5	0	0	0	115.9	W240 Q241 I245	W240-D243 PolarHBondContact O-N 2.84Å; Q241-D243 VanDerWaalsContact C-N 3.27Å; Q241-D243 PolarHBondContact O-N 2.96Å; D243-I245 PolarHBondContact O-N 3.26Å
244	R	50.5	Low	55	Low	159 Å²	159	73.3 Å²	73.3	60%	0.6	37%	0.371	S	S	*	.			trans	-73.4	126.1	175.5	-66.5	-174.2	-179	-163	0.3	110.4	W240 T242 L246	W240-R244 WeakPolarHBondContact CB-O 3.31Å; W240-R244 PolarHBondContact N-O 3.41Å; T242-R244 PolarHBondContact O-N 2.98Å; R244-L246 PolarHBondContact O-N 3.44Å
245	I	48.4	Very low	54	Low	76 Å²	76	72.2 Å²	72.2	39%	0.39	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-62	132.2	172.5	-54.8	176.2	0	0	0	108.6	D243 R247 Q248	D243-I245 PolarHBondContact O-N 3.26Å; I245-R247 HydrophobicContact CG2-CB 4.08Å; I245-R247 HydrophobicContact CG2-CG 4.12Å; I245-R247 PolarHBondContact O-N 2.9Å; I245-Q248 PolarHBondContact O-N 2.86Å
246	L	50.8	Low	52.8	Low	10 Å²	10	65.2 Å²	65.2	5%	0.052	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-58.1	-17	-176.8	-100.2	146.6	0	0	0	113.8	W238 K239 W240 R244 Q248 T249 W254 V268 W283	W238-L246 HydrophobicContact CB-CB 4.02Å; W238-L246 HydrophobicContact CB-CD1 3.77Å; W238-L246 WeakPolarHBondContact O-CB 3.46Å; W238-L246 PolarHBondContact O-N 3.11Å; K239-L246 WeakPolarHBondContact O-CD1 3.39Å; W240-L246 HydrophobicContact CD2-CD1 4.43Å; W240-L246 HydrophobicContact CD2-CD2 3.72Å; W240-L246 HydrophobicContact CD2-CG 3.83Å; W240-L246 HydrophobicContact CE3-CD2 4.2Å; W240-L246 HydrophobicContact CE3-CG 4.47Å; W240-L246 HydrophobicContact CG-CD2 4.34Å; W240-L246 HydrophobicContact CG-CG 3.98Å; W240-L246 HydrophobicContact CH2-CD2 3.85Å; W240-L246 HydrophobicContact CZ2-CD2 3.33Å; W240-L246 HydrophobicContact CZ2-CG 4.33Å; W240-L246 HydrophobicContact CZ3-CD2 4.25Å; R244-L246 PolarHBondContact O-N 3.44Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 2.73Å; L246-T249 PolarHBondContact O-OG1 2.76Å; L246-W254 HydrophobicContact CD1-CZ3 4.14Å; L246-W254 HydrophobicContact CD2-CE3 4.45Å; L246-W254 HydrophobicContact CD2-CZ3 4.24Å; L246-V268 HydrophobicContact CD1-CG2 4.26Å; L246-W283 HydrophobicContact CD2-CZ3 3.96Å
247	R	46.5	Very low	51.7	Low	172 Å²	172	69 Å²	69	65%	0.649	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-70.7	-11.5	173.9	-62.2	-173.4	-176.5	173.6	6.6	115.2	I245	I245-R247 HydrophobicContact CG2-CB 4.08Å; I245-R247 HydrophobicContact CG2-CG 4.12Å; I245-R247 PolarHBondContact O-N 2.9Å
248	Q	42.5	Very low	50.7	Low	150 Å²	150	68.2 Å²	68.2	70%	0.701	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-94.4	11.2	-178.8	-71.6	-174.5	-24.1	0	0	114.1	I245 L246	I245-Q248 PolarHBondContact O-N 2.86Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 2.73Å
249	T	42.9	Very low	49.4	Very low	17 Å²	17	69.4 Å²	69.4	10%	0.104	35%	0.346	C	S	.	.			trans	-82.9	127.9	169.3	49.5	0	0	0	0	109.4	W240 L246 F251	W240-T249 HydrophobicContact CZ2-CG2 4.17Å; L246-T249 PolarHBondContact O-OG1 2.76Å; T249-F251 WeakPolarHBondContact CB-O 3.29Å; T249-F251 PolarHBondContact O-N 3.06Å; T249-F251 PolarHBondContact OG1-O 3.49Å
250	T	39.6	Very low	48.3	Very low	117 Å²	117	77.1 Å²	77.1	72%	0.718	38%	0.38	S	S	*	.	S	Bend	trans	-62	-24.3	170.4	47.3	0	0	0	0	111.5
251	F	45.9	Very low	47.4	Very low	13 Å²	13	78.7 Å²	78.7	6%	0.057	39%	0.388	C	S	.	.			trans	-96.9	98.5	170.1	175.4	-115.1	0	0	0	111	I201 Q204 N207 T249 K253 W283	I201-F251 HydrophobicContact CG2-CD1 4.25Å; I201-F251 HydrophobicContact CG2-CE1 4.25Å; Q204-F251 HydrophobicContact CB-CD2 3.73Å; Q204-F251 HydrophobicContact CB-CE2 3.93Å; Q204-F251 HydrophobicContact CB-CG 4.41Å; Q204-F251 VanDerWaalsContact CD-CE2 3.49Å; Q204-F251 HydrophobicContact CG-CE2 4.28Å; Q204-F251 VanDerWaalsContact OE1-CE2 3.23Å; N207-F251 HydrophobicContact CB-CD1 4.36Å; N207-F251 HydrophobicContact CB-CE1 3.46Å; N207-F251 VanDerWaalsContact CB-CE1 3.46Å; N207-F251 HydrophobicContact CB-CZ 3.66Å; T249-F251 WeakPolarHBondContact CB-O 3.29Å; T249-F251 PolarHBondContact O-N 3.06Å; T249-F251 PolarHBondContact OG1-O 3.49Å; F251-K253 HydrophobicContact CE2-CB 4.25Å; F251-K253 HydrophobicContact CE2-CD 4.14Å; F251-K253 HydrophobicContact CE2-CG 3.92Å; F251-W283 HydrophobicContact CD1-CH2 4.09Å; F251-W283 AromaticContact CD1-CZ2 3.76Å; F251-W283 HydrophobicContact CD1-CZ2 3.76Å; F251-W283 AromaticContact CE1-CE2 3.98Å; F251-W283 HydrophobicContact CE1-CH2 4.19Å; F251-W283 AromaticContact CE1-CZ2 3.48Å; F251-W283 HydrophobicContact CE1-CZ2 3.48Å; F251-W283 VanDerWaalsContact CE1-CZ2 3.48Å
252	S	45.8	Very low	47.2	Very low	35 Å²	35	82 Å²	82	25%	0.245	40%	0.404	C	S	.	.			trans	-134	64	176.6	46.4	0	0	0	0	112.7	W254	S252-W254 PolarHBondContact O-N 2.79Å
253	K	49.4	Very low	47.6	Very low	71 Å²	71	90 Å²	90	31%	0.309	43%	0.426	S	S	.	.			trans	-70.3	-2.2	166.1	-72.3	-163	168.8	-151.7	0	114	G48 G50 F251	G48-K253 PolarHBondContact O-NZ 3.3Å; G50-K253 VanDerWaalsContact N-NZ 3.12Å; F251-K253 HydrophobicContact CE2-CB 4.25Å; F251-K253 HydrophobicContact CE2-CD 4.14Å; F251-K253 HydrophobicContact CE2-CG 3.92Å
254	W	50.2	Low	48.7	Very low	30 Å²	30	87.6 Å²	87.6	11%	0.114	41%	0.413	C	S	.	.			trans	-108.2	99.1	176.9	-173.9	64.3	0	0	0	110	W238 L246 S252 P256 V268 W283 A285	W238-W254 HydrophobicContact CB-CZ3 4.31Å; W238-W254 AromaticContact CD2-CH2 3.52Å; W238-W254 HydrophobicContact CD2-CH2 3.52Å; W238-W254 HydrophobicContact CD2-CZ2 4.49Å; W238-W254 HydrophobicContact CD2-CZ3 4.2Å; W238-W254 AromaticContact CE2-CH2 3.8Å; W238-W254 AromaticContact CE3-CH2 3.62Å; W238-W254 HydrophobicContact CE3-CH2 3.62Å; W238-W254 HydrophobicContact CE3-CZ3 4.41Å; W238-W254 AromaticContact CG-CH2 3.94Å; W238-W254 HydrophobicContact CG-CH2 3.94Å; W238-W254 HydrophobicContact CG-CZ3 4.17Å; W238-W254 HydrophobicContact CH2-CH2 4.23Å; W238-W254 HydrophobicContact CH2-CZ2 4.44Å; W238-W254 HydrophobicContact CZ2-CH2 4.16Å; W238-W254 HydrophobicContact CZ2-CZ2 4.37Å; W238-W254 AromaticContact CZ3-CH2 3.98Å; W238-W254 HydrophobicContact CZ3-CH2 3.98Å; L246-W254 HydrophobicContact CD1-CZ3 4.14Å; L246-W254 HydrophobicContact CD2-CE3 4.45Å; L246-W254 HydrophobicContact CD2-CZ3 4.24Å; S252-W254 PolarHBondContact O-N 2.79Å; W254-P256 HydrophobicContact CE3-CG 4.32Å; W254-P256 HydrophobicContact CH2-CB 4.07Å; W254-P256 HydrophobicContact CH2-CG 4.1Å; W254-P256 HydrophobicContact CZ2-CB 4.03Å; W254-P256 HydrophobicContact CZ2-CG 4.45Å; W254-P256 HydrophobicContact CZ3-CB 4.47Å; W254-P256 HydrophobicContact CZ3-CG 4.03Å; W254-P256 VanDerWaalsContact O-CD 3.27Å; W254-P256 WeakPolarHBondContact O-CD 3.45Å; W254-V268 HydrophobicContact CH2-CB 4.39Å; W254-V268 HydrophobicContact CH2-CG1 4.22Å; W254-V268 HydrophobicContact CH2-CG2 3.29Å; W254-V268 HydrophobicContact CZ2-CG1 4.14Å; W254-V268 HydrophobicContact CZ2-CG2 3.82Å; W254-V268 HydrophobicContact CZ3-CG1 4.49Å; W254-V268 HydrophobicContact CZ3-CG2 3.81Å; W254-W283 HydrophobicContact CB-CB 3.77Å; W254-W283 HydrophobicContact CB-CD2 4.02Å; W254-W283 HydrophobicContact CB-CE3 3.49Å; W254-W283 VanDerWaalsContact CB-CE3 3.49Å; W254-W283 HydrophobicContact CB-CG 4.2Å; W254-W283 HydrophobicContact CB-CZ3 4.3Å; W254-W283 VanDerWaalsContact CD1-C 3.49Å; W254-W283 VanDerWaalsContact CD1-CB 3.45Å; W254-W283 HydrophobicContact CD2-CB 4.13Å; W254-W283 AromaticContact CD2-CE3 3.97Å; W254-W283 HydrophobicContact CD2-CE3 3.97Å; W254-W283 AromaticContact CE3-CE3 3.86Å; W254-W283 HydrophobicContact CE3-CE3 3.86Å; W254-W283 HydrophobicContact CE3-CZ3 4.4Å; W254-W283 HydrophobicContact CG-CB 3.5Å; W254-W283 HydrophobicContact CG-CD2 4.39Å; W254-W283 AromaticContact CG-CE3 3.86Å; W254-W283 HydrophobicContact CG-CE3 3.86Å; W254-W283 HydrophobicContact CG-CG 4.35Å; W254-W283 PolarHBondContact NE1-O 2.94Å; W254-A285 HydrophobicContact CZ2-CB 4.36Å
255	D	47.5	Very low	49.9	Very low	53 Å²	53	81.5 Å²	81.5	28%	0.283	39%	0.391	S	S	.	.			trans	-98.1	103.9	165.4	-176.2	11	0	0	0	110	K257 G258	D255-K257 PolarHBondContact O-N 2.69Å; D255-K257 VanDerWaalsContact OD1-CB 3.28Å; D255-K257 WeakPolarHBondContact OD1-CB 3.47Å; D255-K257 VanDerWaalsContact OD1-CG 3.3Å; D255-K257 WeakPolarHBondContact OD1-CG 3.36Å; D255-K257 PolarHBondContact OD1-N 2.67Å; D255-G258 PolarHBondContact O-N 3.37Å
256	P	43.1	Very low	51.6	Low	27 Å²	27	80 Å²	80	18%	0.175	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-8.4	175.2	23.1	-31.6	0	0	0	114.1	W238 W254 I261	W238-P256 HydrophobicContact CG-CG 4.15Å; W238-P256 VanDerWaalsContact NE1-CB 3.31Å; W254-P256 HydrophobicContact CE3-CG 4.32Å; W254-P256 HydrophobicContact CH2-CB 4.07Å; W254-P256 HydrophobicContact CH2-CG 4.1Å; W254-P256 HydrophobicContact CZ2-CB 4.03Å; W254-P256 HydrophobicContact CZ2-CG 4.45Å; W254-P256 HydrophobicContact CZ3-CB 4.47Å; W254-P256 HydrophobicContact CZ3-CG 4.03Å; W254-P256 VanDerWaalsContact O-CD 3.27Å; W254-P256 WeakPolarHBondContact O-CD 3.45Å; P256-I261 HydrophobicContact CB-CD1 3.38Å; P256-I261 WeakPolarHBondContact O-CD1 3.41Å; P256-I261 WeakPolarHBondContact O-CG1 3.39Å
257	K	40.1	Very low	53.3	Low	152 Å²	152	79.6 Å²	79.6	66%	0.661	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.6	171.8	-55.7	173	178.9	-178.1	0	113.3	D255	D255-K257 PolarHBondContact O-N 2.69Å; D255-K257 VanDerWaalsContact OD1-CB 3.28Å; D255-K257 WeakPolarHBondContact OD1-CB 3.47Å; D255-K257 VanDerWaalsContact OD1-CG 3.3Å; D255-K257 WeakPolarHBondContact OD1-CG 3.36Å; D255-K257 PolarHBondContact OD1-N 2.67Å
258	G	40.5	Very low	55.2	Low	15 Å²	15	71.4 Å²	71.4	16%	0.155	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-29.7	-175.4	0	0	0	0	0	114.6	R45 D255	R45-G258 PolarHBondContact NE-O 3.44Å; R45-G258 PolarHBondContact NH2-O 3.11Å; D255-G258 PolarHBondContact O-N 3.37Å
259	A	41.8	Very low	57.4	Low	55 Å²	55	64.3 Å²	64.3	46%	0.455	32%	0.318	S	S	.	.	S	Bend	trans	-90.4	152.8	178.1	0	0	0	0	0	111.7	I261	A259-I261 HydrophobicContact CB-CG1 4.17Å; A259-I261 PolarHBondContact O-N 3.34Å
260	K	44.8	Very low	59.5	Low	199 Å²	199	63.5 Å²	63.5	87%	0.865	31%	0.313	S	S	*	.			trans	-73	73.7	169.2	-72.7	-173.9	178	-178.8	0	109.9	H262	K260-H262 PolarHBondContact O-CD2 3.26Å; K260-H262 PolarHBondContact O-N 3.43Å; K260-H262 VanDerWaalsContact O-N 3.08Å
261	I	55.4	Low	61.5	Low	39 Å²	39	61 Å²	61	20%	0.2	29%	0.291	C	S	.	.			trans	-67.6	109.2	178.5	-60.8	-165.8	0	0	0	109.1	W238 P256 A259 Q265 A285	W238-I261 HydrophobicContact CZ2-CD1 3.95Å; W238-I261 HydrophobicContact CZ2-CG2 4.37Å; P256-I261 HydrophobicContact CB-CD1 3.38Å; P256-I261 WeakPolarHBondContact O-CD1 3.41Å; P256-I261 WeakPolarHBondContact O-CG1 3.39Å; A259-I261 HydrophobicContact CB-CG1 4.17Å; A259-I261 PolarHBondContact O-N 3.34Å; I261-Q265 HydrophobicContact CG2-CB 3.71Å; I261-A285 HydrophobicContact CD1-CB 3.89Å; I261-A285 HydrophobicContact CG1-CB 4.35Å; I261-A285 HydrophobicContact CG2-CB 4.37Å
262	H	59.9	Low	63	Low	123 Å²	123	60.9 Å²	60.9	57%	0.569	29%	0.29	S	S	*	.			trans	-61.3	151.9	175.1	-70.2	-96.4	0	0	0	110.5	K260 N264 Q265	K260-H262 PolarHBondContact O-CD2 3.26Å; K260-H262 PolarHBondContact O-N 3.43Å; K260-H262 VanDerWaalsContact O-N 3.08Å; H262-N264 WeakPolarHBondContact CB-OD1 3.44Å; H262-N264 PolarHBondContact O-N 3.47Å; H262-Q265 HydrophobicContact CB-CG 4.4Å; H262-Q265 PolarHBondContact CD2-OE1 2.93Å; H262-Q265 PolarHBondContact O-N 3.18Å
263	R	64	Low	63.8	Low	239 Å²	239	61.1 Å²	61.1	90%	0.902	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.4	-177	-72	-173.1	179.9	-177.9	0.6	114.4	R233	R233-R263 PolarHBondContact NH2-O 2.73Å
264	N	73.6	Confident	64.2	Low	87 Å²	87	65.4 Å²	65.4	47%	0.465	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	10.3	-179	67	-9.8	0	0	0	114.5	H262 N287	H262-N264 WeakPolarHBondContact CB-OD1 3.44Å; H262-N264 PolarHBondContact O-N 3.47Å; N264-N287 WeakPolarHBondContact O-CA 3.04Å; N264-N287 WeakPolarHBondContact O-CB 3.34Å; N264-N287 VanDerWaalsContact O-CG 3.31Å; N264-N287 PolarHBondContact O-ND2 3.41Å
265	Q	76.2	Confident	64.1	Low	32 Å²	32	75 Å²	75	15%	0.15	34%	0.338	C	S	.	.			trans	-95.8	105.9	172.9	-76.7	172.8	-64.3	0	0	108.9	I261 H262 A285 T286	I261-Q265 HydrophobicContact CG2-CB 3.71Å; H262-Q265 HydrophobicContact CB-CG 4.4Å; H262-Q265 PolarHBondContact CD2-OE1 2.93Å; H262-Q265 PolarHBondContact O-N 3.18Å; Q265-A285 HydrophobicContact CB-CB 3.96Å; Q265-A285 PolarHBondContact NE2-O 2.96Å; Q265-T286 CarbonylContact C-O 3.58Å; Q265-T286 WeakPolarHBondContact CA-O 3.12Å
266	D	83.5	Confident	63.9	Low	45 Å²	45	78.8 Å²	78.8	24%	0.241	35%	0.352	C	S	.	.			trans	-131	-4.9	-165.1	-69.9	-66.7	0	0	0	113.8	R232 R233 T286 C288	R232-D266 CarbonylContact C-O 3.51Å; R232-D266 WeakPolarHBondContact CA-O 3.38Å; R232-D266 WeakPolarHBondContact CG-O 3.49Å; R233-D266 HydrophobicContact CB-CB 4.4Å; R233-D266 IonicContact CZ-OD1 2.7Å; R233-D266 PolarHBondContact N-O 3.4Å; R233-D266 IonicContact NE-OD1 3.7Å; R233-D266 PolarHBondContact NE-OD1 3.44Å; R233-D266 IonicContact NH2-OD1 2.68Å; R233-D266 PolarHBondContact NH2-OD1 3.46Å; R233-D266 IonicContact NH2-OD2 3.32Å; D266-T286 PolarHBondContact N-O 3.26Å; D266-C288 VanDerWaalsContact CB-SG 3.56Å
267	C	86.8	Confident	64.1	Low	0 Å²	0	80.7 Å²	80.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.4	179.5	-75.8	0	0	0	0	111.2	F184 Y228 A285 T286 C288	F184-C267 HydrophobicContact CB-CB 4.49Å; F184-C267 VanDerWaalsContact CB-SG 3.58Å; F184-C267 HydrophobicContact CD2-CB 3.69Å; F184-C267 WeakPolarHBondContact CD2-SG 3.07Å; F184-C267 HydrophobicContact CE2-CB 4.16Å; F184-C267 HydrophobicContact CG-CB 4.25Å; F184-C267 WeakPolarHBondContact CG-SG 3.42Å; Y228-C267 HydrophobicContact CD1-CB 4.27Å; Y228-C267 HydrophobicContact CE1-CB 3.9Å; C267-A285 CarbonylContact O-C 3.59Å; C267-T286 HydrophobicContact CB-CG2 4.5Å; C267-T286 PolarHBondContact N-O 3.32Å; C267-T286 PolarHBondContact O-N 3.15Å; C267-C288 HydrophobicContact CB-CB 3.99Å; C267-C288 WeakPolarHBondContact CB-SG 3.12Å; C267-C288 PolarHBondContact N-SG 3.37Å; C267-C288 WeakPolarHBondContact SG-CB 3.41Å; C267-C288 CovalentContact SG-SG 2.03Å; C267-C288 PolarHBondContact SG-SG 3Å
268	V	86.4	Confident	64.9	Low	0 Å²	0	74 Å²	74	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.1	-178.4	-170.7	0	0	0	0	110.4	I229 G231 W238 L246 W254 W283	I229-V268 HydrophobicContact CD1-CG1 3.82Å; I229-V268 HydrophobicContact CG1-CB 4.11Å; I229-V268 HydrophobicContact CG1-CG1 3.87Å; I229-V268 PolarHBondContact N-O 3.27Å; G231-V268 WeakPolarHBondContact O-CG2 3.05Å; G231-V268 PolarHBondContact O-N 3.04Å; W238-V268 HydrophobicContact CE3-CG2 3.68Å; W238-V268 HydrophobicContact CZ3-CG2 3.59Å; L246-V268 HydrophobicContact CD1-CG2 4.26Å; W254-V268 HydrophobicContact CH2-CB 4.39Å; W254-V268 HydrophobicContact CH2-CG1 4.22Å; W254-V268 HydrophobicContact CH2-CG2 3.29Å; W254-V268 HydrophobicContact CZ2-CG1 4.14Å; W254-V268 HydrophobicContact CZ2-CG2 3.82Å; W254-V268 HydrophobicContact CZ3-CG1 4.49Å; W254-V268 HydrophobicContact CZ3-CG2 3.81Å; V268-W283 HydrophobicContact CG1-CB 4.4Å
269	V	87.7	Confident	66.3	Low	1 Å²	1	76.7 Å²	76.7	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.7	175.3	-73.1	0	0	0	0	111.5	W227 Y228 W283 D284 T286 L292	W227-V269 CarbonylContact O-C 3.58Å; W227-V269 WeakPolarHBondContact O-CA 3.33Å; W227-V269 WeakPolarHBondContact O-CB 3.4Å; Y228-V269 HydrophobicContact CD1-CG1 3.59Å; Y228-V269 HydrophobicContact CE1-CG1 3.99Å; Y228-V269 HydrophobicContact CG-CG1 4.3Å; V269-W283 CarbonylContact O-C 3.54Å; V269-W283 WeakPolarHBondContact O-CA 3.21Å; V269-D284 HydrophobicContact CG2-CB 4.19Å; V269-D284 WeakPolarHBondContact CG2-O 3.47Å; V269-D284 PolarHBondContact N-O 3.39Å; V269-D284 PolarHBondContact O-N 3.13Å; V269-T286 HydrophobicContact CB-CG2 4.46Å; V269-T286 HydrophobicContact CG1-CG2 3.47Å; V269-T286 VanDerWaalsContact CG1-CG2 3.47Å; V269-T286 HydrophobicContact CG2-CG2 4.15Å; V269-L292 HydrophobicContact CG1-CD1 3.86Å
270	M	86.9	Confident	68.2	Low	0 Å²	0	74.3 Å²	74.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	119.2	159.6	-72.8	-173.3	85.3	0	0	109.1	I201 N207 I210 S211 L214 S226 W227 I229 Y281 Y282	I201-M270 HydrophobicContact CD1-CE 4.1Å; I201-M270 HydrophobicContact CD1-CG 4.39Å; I201-M270 HydrophobicContact CD1-SD 3.52Å; I201-M270 VanDerWaalsContact CD1-SD 3.52Å; N207-M270 WeakPolarHBondContact OD1-CE 3.12Å; I210-M270 HydrophobicContact CB-CE 4.3Å; I210-M270 HydrophobicContact CB-SD 4.42Å; I210-M270 HydrophobicContact CG2-CE 3.85Å; I210-M270 HydrophobicContact CG2-SD 3.49Å; I210-M270 WeakPolarHBondContact CG2-SD 2.99Å; S211-M270 WeakPolarHBondContact OG-CE 3.42Å; L214-M270 HydrophobicContact CD1-CB 3.99Å; L214-M270 HydrophobicContact CD1-CE 4.15Å; L214-M270 HydrophobicContact CD1-SD 3.88Å; S226-M270 CarbonylContact C-O 3.52Å; S226-M270 VanDerWaalsContact CA-O 3.3Å; S226-M270 WeakPolarHBondContact CA-O 3.5Å; W227-M270 HydrophobicContact CB-CB 4.5Å; W227-M270 PolarHBondContact N-O 3.2Å; W227-M270 PolarHBondContact O-N 3.27Å; I229-M270 HydrophobicContact CD1-CG 4.11Å; I229-M270 HydrophobicContact CG2-CG 3.83Å; I229-M270 HydrophobicContact CG2-SD 4.01Å; M270-Y281 HydrophobicContact CB-CD1 4.19Å; M270-Y282 CarbonylContact C-O 3.52Å; M270-Y282 WeakPolarHBondContact CA-O 3.46Å
271	W	81.7	Confident	70	Confident	66 Å²	66	65 Å²	65	25%	0.25	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.7	-175.7	175.3	44.5	0	0	0	111.9	S226 Q273 Y282 D284	S226-W271 VanDerWaalsContact OG-CD1 3.31Å; W271-Q273 HydrophobicContact CD2-CG 3.99Å; W271-Q273 HydrophobicContact CE3-CG 3.66Å; W271-Q273 HydrophobicContact CH2-CG 3.57Å; W271-Q273 HydrophobicContact CZ2-CG 3.87Å; W271-Q273 VanDerWaalsContact CZ3-CD 3.41Å; W271-Q273 HydrophobicContact CZ3-CG 3.48Å; W271-Q273 VanDerWaalsContact CZ3-CG 3.48Å; W271-Y282 PolarHBondContact N-O 3.42Å; W271-Y282 PolarHBondContact O-N 3.07Å; W271-D284 HydrophobicContact CB-CB 4.21Å; W271-D284 HydrophobicContact CE3-CB 4.01Å; W271-D284 VanDerWaalsContact CE3-OD2 3.28Å
272	N	77.7	Confident	71.2	Confident	9 Å²	9	64.8 Å²	64.8	5%	0.048	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.6	172.5	179.6	-74.4	0	0	0	111.3	R274 S278 Y280 Y281	N272-R274 PolarHBondContact O-N 3.43Å; N272-R274 VanDerWaalsContact OD1-CG 3.23Å; N272-R274 WeakPolarHBondContact OD1-CG 3.06Å; N272-R274 PolarHBondContact OD1-N 2.04Å; N272-S278 PolarHBondContact ND2-O 3Å; N272-Y280 PolarHBondContact ND2-O 2.89Å; N272-Y281 HydrophobicContact CB-CD1 4.13Å; N272-Y281 HydrophobicContact CB-CD2 4.34Å; N272-Y281 HydrophobicContact CB-CE1 3.76Å; N272-Y281 HydrophobicContact CB-CE2 3.96Å; N272-Y281 HydrophobicContact CB-CG 4.4Å
273	Q	63.5	Low	72.2	Confident	40 Å²	40	60.2 Å²	60.2	19%	0.187	27%	0.273	C	S	.	.			trans	-88.3	85.1	172.9	-65.1	-152.5	19.3	0	0	111.3	M47 W271 R275 F276	M47-Q273 HydrophobicContact CE-CB 4.39Å; M47-Q273 VanDerWaalsContact CE-CD 3.46Å; M47-Q273 HydrophobicContact CE-CG 3.83Å; M47-Q273 VanDerWaalsContact CE-NE2 3.32Å; M47-Q273 HydrophobicContact SD-CG 4.45Å; M47-Q273 PolarHBondContact SD-NE2 3.1Å; M47-Q273 PolarHBondContact SD-OE1 3.5Å; W271-Q273 HydrophobicContact CD2-CG 3.99Å; W271-Q273 HydrophobicContact CE3-CG 3.66Å; W271-Q273 HydrophobicContact CH2-CG 3.57Å; W271-Q273 HydrophobicContact CZ2-CG 3.87Å; W271-Q273 VanDerWaalsContact CZ3-CD 3.41Å; W271-Q273 HydrophobicContact CZ3-CG 3.48Å; W271-Q273 VanDerWaalsContact CZ3-CG 3.48Å; Q273-R275 PolarHBondContact O-N 2.89Å; Q273-F276 HydrophobicContact CB-CD2 4.18Å; Q273-F276 PolarHBondContact O-N 3.01Å
274	R	57.3	Low	72.8	Confident	161 Å²	161	50.8 Å²	50.8	61%	0.608	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-54.4	-18.8	176.2	-75.7	-165.2	173.2	-174	-2.2	115.1	N272 F276 G277	N272-R274 PolarHBondContact O-N 3.43Å; N272-R274 VanDerWaalsContact OD1-CG 3.23Å; N272-R274 WeakPolarHBondContact OD1-CG 3.06Å; N272-R274 PolarHBondContact OD1-N 2.04Å; R274-F276 PolarHBondContact O-N 2.92Å; R274-F276 VanDerWaalsContact O-N 3.09Å; R274-G277 PolarHBondContact O-N 2.86Å
275	R	47	Very low	73.1	Confident	232 Å²	232	46.8 Å²	46.8	88%	0.875	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-61.5	-15	179.5	-148.6	177.5	-166.2	177.7	3.4	114	Q273	Q273-R275 PolarHBondContact O-N 2.89Å
276	F	44	Very low	73.5	Confident	132 Å²	132	45.4 Å²	45.4	58%	0.579	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-115.8	15.6	179.7	-60.8	-67.8	0	0	0	114	M47 Q273 R274 S278	M47-F276 HydrophobicContact SD-CE2 4.25Å; Q273-F276 HydrophobicContact CB-CD2 4.18Å; Q273-F276 PolarHBondContact O-N 3.01Å; R274-F276 PolarHBondContact O-N 2.92Å; R274-F276 VanDerWaalsContact O-N 3.09Å; F276-S278 PolarHBondContact O-N 3.23Å
277	G	46.7	Very low	73.8	Confident	68 Å²	68	45 Å²	45	70%	0.701	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	11.1	-179.8	0	0	0	0	0	115	R274	R274-G277 PolarHBondContact O-N 2.86Å
278	S	57.3	Low	73.9	Confident	11 Å²	11	45.6 Å²	45.6	8%	0.077	22%	0.215	C	C	.	.			trans	-95.1	121.7	-174.6	68	0	0	0	0	111.9	N272 F276 Y280	N272-S278 PolarHBondContact ND2-O 3Å; F276-S278 PolarHBondContact O-N 3.23Å; S278-Y280 PolarHBondContact O-N 2.83Å
279	D	70.5	Confident	74.1	Confident	71 Å²	71	55.5 Å²	55.5	38%	0.38	25%	0.253	S	S	.	.			trans	-67.9	18.5	166.6	-67.6	-36.9	0	0	0	114.1	R56 S215	R56-D279 IonicContact NE-OD2 3.37Å; S215-D279 VanDerWaalsContact CB-O 3.29Å; S215-D279 WeakPolarHBondContact CB-O 3.35Å
280	Y	80.9	Confident	74.2	Confident	5 Å²	5	60.8 Å²	60.8	2%	0.02	28%	0.276	C	S	.	.			trans	-100	151.2	-174.6	-170.7	-102.1	0	0	0	112.3	S49 Q51 Q204 N207 D208 S211 N272 S278 Y282	S49-Y280 VanDerWaalsContact CB-CE1 3.4Å; S49-Y280 PolarHBondContact O-OH 2.99Å; Q51-Y280 HydrophobicContact CG-CD2 3.9Å; Q51-Y280 HydrophobicContact CG-CE2 3.56Å; Q204-Y280 PolarHBondContact NE2-OH 3.26Å; Q204-Y280 VanDerWaalsContact NE2-OH 3.12Å; N207-Y280 VanDerWaalsContact ND2-CZ 3.35Å; N207-Y280 PolarHBondContact ND2-OH 2.89Å; D208-Y280 WeakPolarHBondContact OD1-CE2 3.49Å; D208-Y280 PolarHBondContact OD1-OH 3.28Å; D208-Y280 VanDerWaalsContact OD1-OH 3.1Å; S211-Y280 WeakPolarHBondContact OG-CE2 3.39Å; N272-Y280 PolarHBondContact ND2-O 2.89Å; S278-Y280 PolarHBondContact O-N 2.83Å; Y280-Y282 AromaticContact CD1-CD1 3.77Å; Y280-Y282 HydrophobicContact CD1-CD1 3.77Å; Y280-Y282 AromaticContact CD1-CD2 3.95Å; Y280-Y282 HydrophobicContact CD1-CD2 3.95Å; Y280-Y282 AromaticContact CD1-CE1 3.54Å; Y280-Y282 HydrophobicContact CD1-CE1 3.54Å; Y280-Y282 AromaticContact CD1-CE2 3.74Å; Y280-Y282 HydrophobicContact CD1-CE2 3.74Å; Y280-Y282 AromaticContact CD1-CG 3.96Å; Y280-Y282 HydrophobicContact CD1-CG 3.96Å; Y280-Y282 AromaticContact CD1-CZ 3.52Å; Y280-Y282 AromaticContact CE1-CD1 3.85Å; Y280-Y282 HydrophobicContact CE1-CD1 3.85Å; Y280-Y282 AromaticContact CE1-CE1 3.86Å; Y280-Y282 HydrophobicContact CE1-CE1 3.86Å; Y280-Y282 HydrophobicContact CE1-CG 4.3Å; Y280-Y282 HydrophobicContact CG-CE2 4.47Å
281	Y	84	Confident	74.3	Confident	4 Å²	4	66.8 Å²	66.8	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	107.3	-177.6	-79.7	-100.3	0	0	0	110.6	S211 L214 S218 W227 M270 N272	S211-Y281 PolarHBondContact OG-O 3.49Å; L214-Y281 HydrophobicContact CB-CD1 4.18Å; L214-Y281 HydrophobicContact CB-CD2 3.61Å; L214-Y281 HydrophobicContact CB-CE1 4.09Å; L214-Y281 HydrophobicContact CB-CE2 3.53Å; L214-Y281 HydrophobicContact CB-CG 3.96Å; L214-Y281 HydrophobicContact CD1-CD1 3.74Å; L214-Y281 HydrophobicContact CD1-CD2 4.33Å; L214-Y281 HydrophobicContact CD1-CE1 4.22Å; L214-Y281 HydrophobicContact CD1-CG 3.81Å; L214-Y281 PolarHBondContact O-OH 3.13Å; S218-Y281 PolarHBondContact OG-OH 3.31Å; W227-Y281 AromaticContact CD1-CE1 3.83Å; M270-Y281 HydrophobicContact CB-CD1 4.19Å; N272-Y281 HydrophobicContact CB-CD1 4.13Å; N272-Y281 HydrophobicContact CB-CD2 4.34Å; N272-Y281 HydrophobicContact CB-CE1 3.76Å; N272-Y281 HydrophobicContact CB-CE2 3.96Å; N272-Y281 HydrophobicContact CB-CG 4.4Å
282	Y	78.7	Confident	74.6	Confident	34 Å²	34	64.7 Å²	64.7	13%	0.133	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	157	177	-55.9	-92.1	0	0	0	109.9	M47 M270 W271 Y280	M47-Y282 HydrophobicContact CB-CD1 4.33Å; M47-Y282 HydrophobicContact CB-CE1 3.88Å; M47-Y282 HydrophobicContact CE-CD1 3.5Å; M47-Y282 HydrophobicContact CE-CD2 3.28Å; M47-Y282 HydrophobicContact CE-CE1 3.92Å; M47-Y282 HydrophobicContact CE-CE2 3.72Å; M47-Y282 HydrophobicContact CE-CG 3.16Å; M47-Y282 WeakPolarHBondContact O-CE1 3.43Å; M47-Y282 PolarHBondContact O-OH 3.27Å; M270-Y282 CarbonylContact C-O 3.52Å; M270-Y282 WeakPolarHBondContact CA-O 3.46Å; W271-Y282 PolarHBondContact N-O 3.42Å; W271-Y282 PolarHBondContact O-N 3.07Å; Y280-Y282 AromaticContact CD1-CD1 3.77Å; Y280-Y282 HydrophobicContact CD1-CD1 3.77Å; Y280-Y282 AromaticContact CD1-CD2 3.95Å; Y280-Y282 HydrophobicContact CD1-CD2 3.95Å; Y280-Y282 AromaticContact CD1-CE1 3.54Å; Y280-Y282 HydrophobicContact CD1-CE1 3.54Å; Y280-Y282 AromaticContact CD1-CE2 3.74Å; Y280-Y282 HydrophobicContact CD1-CE2 3.74Å; Y280-Y282 AromaticContact CD1-CG 3.96Å; Y280-Y282 HydrophobicContact CD1-CG 3.96Å; Y280-Y282 AromaticContact CD1-CZ 3.52Å; Y280-Y282 AromaticContact CE1-CD1 3.85Å; Y280-Y282 HydrophobicContact CE1-CD1 3.85Å; Y280-Y282 AromaticContact CE1-CE1 3.86Å; Y280-Y282 HydrophobicContact CE1-CE1 3.86Å; Y280-Y282 HydrophobicContact CE1-CG 4.3Å; Y280-Y282 HydrophobicContact CG-CE2 4.47Å
283	W	80.9	Confident	75.3	Confident	27 Å²	27	64.2 Å²	64.2	10%	0.102	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	140.2	174.1	-59.2	6.2	0	0	0	109.9	I201 N207 I229 W240 L246 F251 W254 V268 V269	I201-W283 HydrophobicContact CB-CH2 4.4Å; I201-W283 HydrophobicContact CB-CZ2 3.7Å; I201-W283 HydrophobicContact CD1-CZ2 4.33Å; I201-W283 HydrophobicContact CG2-CZ2 3.82Å; N207-W283 PolarHBondContact OD1-NE1 3.34Å; I229-W283 HydrophobicContact CD1-CD2 4.33Å; I229-W283 HydrophobicContact CD1-CG 4.45Å; W240-W283 AromaticContact CH2-CH2 3.96Å; W240-W283 HydrophobicContact CH2-CH2 3.96Å; W240-W283 HydrophobicContact CH2-CZ2 4.41Å; W240-W283 HydrophobicContact CH2-CZ3 4.18Å; W240-W283 AromaticContact CZ2-CH2 3.74Å; W240-W283 HydrophobicContact CZ2-CH2 3.74Å; W240-W283 HydrophobicContact CZ2-CZ3 4.01Å; L246-W283 HydrophobicContact CD2-CZ3 3.96Å; F251-W283 HydrophobicContact CD1-CH2 4.09Å; F251-W283 AromaticContact CD1-CZ2 3.76Å; F251-W283 HydrophobicContact CD1-CZ2 3.76Å; F251-W283 AromaticContact CE1-CE2 3.98Å; F251-W283 HydrophobicContact CE1-CH2 4.19Å; F251-W283 AromaticContact CE1-CZ2 3.48Å; F251-W283 HydrophobicContact CE1-CZ2 3.48Å; F251-W283 VanDerWaalsContact CE1-CZ2 3.48Å; W254-W283 HydrophobicContact CB-CB 3.77Å; W254-W283 HydrophobicContact CB-CD2 4.02Å; W254-W283 HydrophobicContact CB-CE3 3.49Å; W254-W283 VanDerWaalsContact CB-CE3 3.49Å; W254-W283 HydrophobicContact CB-CG 4.2Å; W254-W283 HydrophobicContact CB-CZ3 4.3Å; W254-W283 VanDerWaalsContact CD1-C 3.49Å; W254-W283 VanDerWaalsContact CD1-CB 3.45Å; W254-W283 HydrophobicContact CD2-CB 4.13Å; W254-W283 AromaticContact CD2-CE3 3.97Å; W254-W283 HydrophobicContact CD2-CE3 3.97Å; W254-W283 AromaticContact CE3-CE3 3.86Å; W254-W283 HydrophobicContact CE3-CE3 3.86Å; W254-W283 HydrophobicContact CE3-CZ3 4.4Å; W254-W283 HydrophobicContact CG-CB 3.5Å; W254-W283 HydrophobicContact CG-CD2 4.39Å; W254-W283 AromaticContact CG-CE3 3.86Å; W254-W283 HydrophobicContact CG-CE3 3.86Å; W254-W283 HydrophobicContact CG-CG 4.35Å; W254-W283 PolarHBondContact NE1-O 2.94Å; V268-W283 HydrophobicContact CG1-CB 4.4Å; V269-W283 CarbonylContact O-C 3.54Å; V269-W283 WeakPolarHBondContact O-CA 3.21Å
284	D	78.1	Confident	76.7	Confident	42 Å²	42	62.3 Å²	62.3	23%	0.225	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	164.7	175.6	-169.5	19.9	0	0	0	110.5	V269 W271	V269-D284 HydrophobicContact CG2-CB 4.19Å; V269-D284 WeakPolarHBondContact CG2-O 3.47Å; V269-D284 PolarHBondContact N-O 3.39Å; V269-D284 PolarHBondContact O-N 3.13Å; W271-D284 HydrophobicContact CB-CB 4.21Å; W271-D284 HydrophobicContact CE3-CB 4.01Å; W271-D284 VanDerWaalsContact CE3-OD2 3.28Å
285	A	80.2	Confident	78.5	Confident	2 Å²	2	54.7 Å²	54.7	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139	176.6	0	0	0	0	0	111	W238 W254 I261 Q265 C267	W238-A285 HydrophobicContact CH2-CB 3.88Å; W238-A285 HydrophobicContact CZ2-CB 4.09Å; W254-A285 HydrophobicContact CZ2-CB 4.36Å; I261-A285 HydrophobicContact CD1-CB 3.89Å; I261-A285 HydrophobicContact CG1-CB 4.35Å; I261-A285 HydrophobicContact CG2-CB 4.37Å; Q265-A285 HydrophobicContact CB-CB 3.96Å; Q265-A285 PolarHBondContact NE2-O 2.96Å; C267-A285 CarbonylContact O-C 3.59Å
286	T	84.7	Confident	80.8	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	167.5	176.5	-161.2	0	0	0	0	111.6	Y228 Q265 D266 C267 V269 K290 L292	Y228-T286 HydrophobicContact CD1-CG2 4.33Å; Y228-T286 HydrophobicContact CE1-CG2 3.55Å; Q265-T286 CarbonylContact C-O 3.58Å; Q265-T286 WeakPolarHBondContact CA-O 3.12Å; D266-T286 PolarHBondContact N-O 3.26Å; C267-T286 HydrophobicContact CB-CG2 4.5Å; C267-T286 PolarHBondContact N-O 3.32Å; C267-T286 PolarHBondContact O-N 3.15Å; V269-T286 HydrophobicContact CB-CG2 4.46Å; V269-T286 HydrophobicContact CG1-CG2 3.47Å; V269-T286 VanDerWaalsContact CG1-CG2 3.47Å; V269-T286 HydrophobicContact CG2-CG2 4.15Å; T286-K290 VanDerWaalsContact OG1-CD 3.31Å; T286-K290 WeakPolarHBondContact OG1-CD 3.4Å; T286-K290 WeakPolarHBondContact OG1-CE 3.27Å; T286-K290 PolarHBondContact OG1-NZ 3.37Å; T286-L292 HydrophobicContact CG2-CD1 3.99Å
287	N	88.5	Confident	83.1	Confident	38 Å²	38	39 Å²	39	20%	0.203	19%	0.19	C	C	.	.			trans	-76.4	122.6	171.3	-176.1	-35	0	0	0	109.6	Y228 N264 R289 K290	Y228-N287 PolarHBondContact OH-O 3.23Å; Y228-N287 VanDerWaalsContact OH-O 3.12Å; N264-N287 WeakPolarHBondContact O-CA 3.04Å; N264-N287 WeakPolarHBondContact O-CB 3.34Å; N264-N287 VanDerWaalsContact O-CG 3.31Å; N264-N287 PolarHBondContact O-ND2 3.41Å; N287-R289 PolarHBondContact O-N 3.01Å; N287-R289 VanDerWaalsContact OD1-CB 3.29Å; N287-R289 WeakPolarHBondContact OD1-CB 3.49Å; N287-R289 WeakPolarHBondContact OD1-CG 3.12Å; N287-R289 PolarHBondContact OD1-N 3.33Å; N287-K290 HydrophobicContact CB-CG 4.35Å; N287-K290 WeakPolarHBondContact O-CB 3.32Å; N287-K290 PolarHBondContact O-N 3.16Å
288	C	90.3	Very high	85.3	Confident	12 Å²	12	38 Å²	38	8%	0.081	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-20.8	179.9	-53.9	0	0	0	0	114.7	F184 Y228 D266 C267	F184-C288 HydrophobicContact CB-CB 3.87Å; F184-C288 PolarHBondContact N-O 3.44Å; Y228-C288 VanDerWaalsContact OH-C 3.29Å; Y228-C288 PolarHBondContact OH-O 3.16Å; Y228-C288 VanDerWaalsContact OH-O 3.09Å; D266-C288 VanDerWaalsContact CB-SG 3.56Å; C267-C288 HydrophobicContact CB-CB 3.99Å; C267-C288 WeakPolarHBondContact CB-SG 3.12Å; C267-C288 PolarHBondContact N-SG 3.37Å; C267-C288 WeakPolarHBondContact SG-CB 3.41Å; C267-C288 CovalentContact SG-SG 2.03Å; C267-C288 PolarHBondContact SG-SG 3Å
289	R	89.8	Confident	86.8	Confident	208 Å²	208	43.5 Å²	43.5	79%	0.785	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-13	176.8	-57.8	-178.4	-178.9	179.6	0	113.4	N287	N287-R289 PolarHBondContact O-N 3.01Å; N287-R289 VanDerWaalsContact OD1-CB 3.29Å; N287-R289 WeakPolarHBondContact OD1-CB 3.49Å; N287-R289 WeakPolarHBondContact OD1-CG 3.12Å; N287-R289 PolarHBondContact OD1-N 3.33Å
290	K	88.9	Confident	87.7	Confident	112 Å²	112	40.9 Å²	40.9	49%	0.487	18%	0.184	S	C	.	.	S	Bend	trans	-62.1	142.5	173.1	-71.2	-165	-164.1	157.9	0	109	Y228 T286 N287 L292	Y228-K290 PolarHBondContact OH-O 3.41Å; T286-K290 VanDerWaalsContact OG1-CD 3.31Å; T286-K290 WeakPolarHBondContact OG1-CD 3.4Å; T286-K290 WeakPolarHBondContact OG1-CE 3.27Å; T286-K290 PolarHBondContact OG1-NZ 3.37Å; N287-K290 HydrophobicContact CB-CG 4.35Å; N287-K290 WeakPolarHBondContact O-CB 3.32Å; N287-K290 PolarHBondContact O-N 3.16Å; K290-L292 HydrophobicContact CB-CD1 4.13Å; K290-L292 HydrophobicContact CB-CG 4.04Å
291	R	89.5	Confident	88.1	Confident	125 Å²	125	44 Å²	44	47%	0.472	20%	0.196	S	C	.	.			trans	-88.6	116.5	174.2	-49	-58.3	-167	145.6	-8.1	108.6	L180 D181 Y182 M186	L180-R291 CarbonylContact O-C 3.44Å; L180-R291 WeakPolarHBondContact O-CB 3.45Å; D181-R291 WeakPolarHBondContact O-CD 3.48Å; D181-R291 PolarHBondContact O-NH1 2.99Å; Y182-R291 VanDerWaalsContact O-CA 3.31Å; Y182-R291 WeakPolarHBondContact O-CA 3.4Å; M186-R291 PolarHBondContact SD-NH1 2.06Å
292	L	88.8	Confident	88.2	Confident	22 Å²	22	50.1 Å²	50.1	12%	0.115	23%	0.229	C	C	.	.			trans	-145.9	154.7	-168.9	-68.4	177.6	0	0	0	110.8	N179 Y182 Y228 V269 T286 K290	N179-L292 CarbonylContact O-C 3.5Å; Y182-L292 PolarHBondContact O-N 2.98Å; Y228-L292 HydrophobicContact CD2-CB 3.87Å; Y228-L292 HydrophobicContact CE1-CD1 4.08Å; Y228-L292 HydrophobicContact CE2-CB 3.66Å; Y228-L292 HydrophobicContact CE2-CD1 4.14Å; Y228-L292 HydrophobicContact CE2-CG 4.23Å; V269-L292 HydrophobicContact CG1-CD1 3.86Å; T286-L292 HydrophobicContact CG2-CD1 3.99Å; K290-L292 HydrophobicContact CB-CD1 4.13Å; K290-L292 HydrophobicContact CB-CG 4.04Å
293	P	91.7	Very high	88.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.224	C	C	.	.			trans	-66.2	166.4	168.1	35	-39.7	0	0	0	110.7	F177 N179 S226 W227 Y228	F177-P293 CarbonylContact O-C 3.46Å; F177-P293 WeakPolarHBondContact O-CA 3.49Å; F177-P293 WeakPolarHBondContact O-CB 3.05Å; N179-P293 WeakPolarHBondContact O-CA 3.01Å; S226-P293 VanDerWaalsContact O-CD 3.25Å; S226-P293 WeakPolarHBondContact O-CD 3.34Å; S226-P293 WeakPolarHBondContact O-CG 3.28Å; W227-P293 CarbonylContact C-O 3.53Å; W227-P293 VanDerWaalsContact CA-O 3.29Å; W227-P293 WeakPolarHBondContact CA-O 3.05Å; W227-P293 HydrophobicContact CD2-CB 3.7Å; W227-P293 HydrophobicContact CD2-CG 3.61Å; W227-P293 HydrophobicContact CE3-CB 3.64Å; W227-P293 HydrophobicContact CE3-CG 4.1Å; W227-P293 HydrophobicContact CG-CB 4.34Å; W227-P293 HydrophobicContact CG-CG 3.81Å; W227-P293 HydrophobicContact CH2-CB 4.14Å; W227-P293 HydrophobicContact CZ2-CB 4.19Å; W227-P293 HydrophobicContact CZ2-CG 4.33Å; W227-P293 HydrophobicContact CZ3-CB 3.87Å; Y228-P293 PolarHBondContact N-O 3.48Å
294	F	93.3	Very high	89	Confident	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	156.3	-173.4	59.7	-83.5	0	0	0	113	F177 Y182 A187 Q190 L198	F177-F294 HydrophobicContact CB-CD1 3.79Å; F177-F294 HydrophobicContact CB-CD2 3.96Å; F177-F294 HydrophobicContact CB-CE1 3.45Å; F177-F294 VanDerWaalsContact CB-CE1 3.45Å; F177-F294 HydrophobicContact CB-CE2 3.66Å; F177-F294 HydrophobicContact CB-CG 4.02Å; F177-F294 HydrophobicContact CB-CZ 3.38Å; F177-F294 HydrophobicContact CD1-CE2 4.47Å; F177-F294 HydrophobicContact CD1-CZ 4.14Å; F177-F294 AromaticContact CD2-CD2 3.91Å; F177-F294 HydrophobicContact CD2-CD2 3.91Å; F177-F294 AromaticContact CD2-CE2 3.42Å; F177-F294 HydrophobicContact CD2-CE2 3.42Å; F177-F294 VanDerWaalsContact CD2-CE2 3.42Å; F177-F294 AromaticContact CD2-CZ 3.89Å; F177-F294 HydrophobicContact CD2-CZ 3.89Å; F177-F294 HydrophobicContact CE2-CE2 4.24Å; F177-F294 HydrophobicContact CG-CD2 4.21Å; F177-F294 HydrophobicContact CG-CE1 4.12Å; F177-F294 AromaticContact CG-CE2 3.58Å; F177-F294 HydrophobicContact CG-CE2 3.58Å; F177-F294 AromaticContact CG-CZ 3.51Å; F177-F294 HydrophobicContact CG-CZ 3.51Å; F177-F294 PolarHBondContact N-O 2.03Å; F177-F294 PolarHBondContact O-N 3.46Å; Y182-F294 AromaticContact CD1-CE1 3.64Å; Y182-F294 HydrophobicContact CD1-CE1 3.64Å; Y182-F294 AromaticContact CD1-CZ 3.93Å; Y182-F294 HydrophobicContact CD1-CZ 3.93Å; Y182-F294 AromaticContact CD2-CE1 3.7Å; Y182-F294 HydrophobicContact CD2-CE1 3.7Å; Y182-F294 HydrophobicContact CE1-CE1 4.13Å; Y182-F294 HydrophobicContact CE1-CZ 4.08Å; Y182-F294 HydrophobicContact CE2-CE1 4.18Å; Y182-F294 HydrophobicContact CG-CD1 4.14Å; Y182-F294 AromaticContact CG-CE1 3.41Å; Y182-F294 HydrophobicContact CG-CE1 3.41Å; Y182-F294 VanDerWaalsContact CG-CE1 3.41Å; Y182-F294 HydrophobicContact CG-CZ 4.17Å; A187-F294 HydrophobicContact CB-CB 3.8Å; A187-F294 HydrophobicContact CB-CD1 3.69Å; A187-F294 HydrophobicContact CB-CD2 3.74Å; A187-F294 HydrophobicContact CB-CE1 4.15Å; A187-F294 HydrophobicContact CB-CE2 4.17Å; A187-F294 HydrophobicContact CB-CG 3.47Å; A187-F294 VanDerWaalsContact CB-CG 3.47Å; A187-F294 HydrophobicContact CB-CZ 4.37Å; Q190-F294 HydrophobicContact CB-CE2 4.06Å; Q190-F294 HydrophobicContact CB-CZ 3.99Å; Q190-F294 HydrophobicContact CG-CE2 4.01Å; Q190-F294 HydrophobicContact CG-CZ 3.84Å; L198-F294 HydrophobicContact CD2-CB 3.87Å; L198-F294 HydrophobicContact CD2-CD2 3.97Å; L198-F294 HydrophobicContact CD2-CG 4.33Å
295	V	94.7	Very high	89.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.4	177.8	-169.3	0	0	0	0	109.1	F174 H175 F176 L198 A199 L214 W227 Y228	F174-V295 HydrophobicContact CB-CG1 4.44Å; F174-V295 HydrophobicContact CD1-CG1 4.07Å; H175-V295 WeakPolarHBondContact O-CA 3.04Å; F176-V295 HydrophobicContact CD1-CG1 4.02Å; F176-V295 HydrophobicContact CD1-CG2 3.8Å; F176-V295 HydrophobicContact CE1-CG1 3.76Å; F176-V295 HydrophobicContact CE1-CG2 3.88Å; F176-V295 HydrophobicContact CZ-CG1 4.06Å; L198-V295 WeakPolarHBondContact CA-O 3.48Å; A199-V295 HydrophobicContact CB-CB 4.01Å; A199-V295 HydrophobicContact CB-CG1 3.93Å; A199-V295 PolarHBondContact N-O 3.39Å; L214-V295 HydrophobicContact CD2-CG2 4.27Å; W227-V295 HydrophobicContact CB-CG2 4.3Å; W227-V295 HydrophobicContact CE3-CG2 3.95Å; Y228-V295 PolarHBondContact O-N 3.01Å
296	C	94.6	Very high	89.9	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.8	168.8	-57.4	0	0	0	0	110.4	F174 H175 F177 C191 G197	F174-C296 WeakPolarHBondContact CA-O 3.32Å; H175-C296 HydrophobicContact CB-CB 4.32Å; H175-C296 PolarHBondContact N-O 3.35Å; H175-C296 PolarHBondContact O-N 2.02Å; F177-C296 HydrophobicContact CE2-CB 4.32Å; C191-C296 WeakPolarHBondContact CA-SG 3.13Å; C191-C296 HydrophobicContact CB-CB 3.72Å; C191-C296 WeakPolarHBondContact CB-SG 3.12Å; C191-C296 WeakPolarHBondContact SG-CA 3.33Å; C191-C296 WeakPolarHBondContact SG-CB 3.42Å; C191-C296 CovalentContact SG-SG 2.04Å; C191-C296 PolarHBondContact SG-SG 3.09Å; G197-C296 CarbonylContact O-C 3.51Å; G197-C296 VanDerWaalsContact O-CA 3.26Å; G197-C296 WeakPolarHBondContact O-CA 3.39Å
297	Q	93.9	Very high	89.9	Confident	31 Å²	31	54 Å²	54	15%	0.145	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.3	164.8	70.8	175	18.5	0	0	110.4	C173 F174 G196 G197 V200	C173-Q297 CarbonylContact O-C 3.6Å; C173-Q297 WeakPolarHBondContact O-CA 3.37Å; F174-Q297 HydrophobicContact CD1-CB 3.96Å; F174-Q297 HydrophobicContact CE1-CB 3.68Å; F174-Q297 HydrophobicContact CZ-CB 4.39Å; G196-Q297 CarbonylContact C-O 3.57Å; G196-Q297 VanDerWaalsContact CA-O 3.27Å; G196-Q297 WeakPolarHBondContact CA-O 3.26Å; G197-Q297 PolarHBondContact N-O 2.75Å; G197-Q297 PolarHBondContact O-N 3.11Å; V200-Q297 PolarHBondContact O-OE1 2.96Å
298	K	91.1	Very high	89.7	Confident	48 Å²	48	54.7 Å²	54.7	21%	0.209	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.3	170.8	-174.6	175.2	-178.2	177.4	0	109.1	K172 C173 M194 G195 Y301	K172-K298 CarbonylContact C-O 3.37Å; K172-K298 WeakPolarHBondContact CA-O 3.31Å; C173-K298 PolarHBondContact N-O 2.77Å; C173-K298 PolarHBondContact O-N 3.43Å; M194-K298 WeakPolarHBondContact O-CD 3.34Å; M194-K298 WeakPolarHBondContact O-CE 3.45Å; M194-K298 PolarHBondContact O-NZ 2.87Å; G195-K298 WeakPolarHBondContact O-CE 3.38Å; G195-K298 WeakPolarHBondContact O-CG 3.43Å; K298-Y301 PolarHBondContact NZ-OH 2.96Å
299	D	89.6	Confident	89.4	Confident	126 Å²	126	56.5 Å²	56.5	67%	0.674	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	145.4	171.3	-57.3	-34.4	0	0	0	110.8
300	A	90.5	Very high	89.2	Confident	17 Å²	17	46.6 Å²	46.6	14%	0.14	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-66.9	146.5	178.5	0	0	0	0	0	111.7	R161 L168 E171	R161-A300 HydrophobicContact CB-CB 4.5Å; L168-A300 HydrophobicContact CD1-CB 3.48Å; L168-A300 VanDerWaalsContact CD1-CB 3.48Å; E171-A300 WeakPolarHBondContact O-CB 3.49Å; E171-A300 PolarHBondContact O-N 2.03Å
301	Y	88.4	Confident	88.9	Confident	70 Å²	70	44.2 Å²	44.2	28%	0.275	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-71.3	136	173	-59.3	-43.8	0	0	0	110.6	R161 K298 I303	R161-Y301 PolarHBondContact NE-O 3.36Å; R161-Y301 WeakPolarHBondContact O-CB 3.2Å; R161-Y301 PolarHBondContact O-N 3.15Å; K298-Y301 PolarHBondContact NZ-OH 2.96Å; Y301-I303 PolarHBondContact O-N 2.88Å
302	D	86.9	Confident	88.6	Confident	133 Å²	133	43 Å²	43	71%	0.711	26%	0.258	S	S	*	.			trans	-75.9	108.3	158.6	-176.2	6.2	0	0	0	108.2	G304 S316	D302-G304 PolarHBondContact OD1-N 3.22Å; D302-S316 PolarHBondContact O-OG 3.26Å
303	I	88.2	Confident	88.4	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.015	25%	0.254	C	S	.	.			trans	-102.9	4.1	177.3	67.8	178.4	0	0	0	112	R161 Y301 Y313 G315 S316 A317 I374	R161-I303 HydrophobicContact CB-CD1 4.49Å; R161-I303 HydrophobicContact CG-CD1 3.6Å; R161-I303 HydrophobicContact CG-CG1 3.97Å; Y301-I303 PolarHBondContact O-N 2.88Å; I303-Y313 VanDerWaalsContact O-CE2 3.26Å; I303-Y313 WeakPolarHBondContact O-CE2 3.49Å; I303-Y313 PolarHBondContact O-OH 2.99Å; I303-G315 WeakPolarHBondContact O-CA 3.46Å; I303-S316 WeakPolarHBondContact CA-OG 3.44Å; I303-A317 HydrophobicContact CB-CB 3.98Å; I303-A317 HydrophobicContact CD1-CB 4.06Å; I303-A317 HydrophobicContact CG2-CB 4.11Å; I303-I374 HydrophobicContact CD1-CG1 4.32Å
304	G	86.5	Confident	87.9	Confident	35 Å²	35	50.7 Å²	50.7	36%	0.361	29%	0.291	S	S	.	.			trans	60.6	-160.1	-167.1	0	0	0	0	0	113	D302 P375	D302-G304 PolarHBondContact OD1-N 3.22Å; G304-P375 WeakPolarHBondContact O-CG 3.42Å
305	C	89	Confident	87.3	Confident	54 Å²	54	51.6 Å²	51.6	37%	0.365	30%	0.301	S	S	.	.			trans	-134.2	160.6	-177.4	59	0	0	0	0	111.4	Y313 P375 C377	C305-Y313 WeakPolarHBondContact O-CD2 3.38Å; C305-P375 CarbonylContact C-O 3.59Å; C305-P375 WeakPolarHBondContact CA-O 3.23Å; C305-P375 HydrophobicContact CB-CG 4.37Å; C305-P375 VanDerWaalsContact CB-O 3.23Å; C305-P375 WeakPolarHBondContact CB-O 3.3Å; C305-C377 HydrophobicContact CB-CB 3.94Å; C305-C377 WeakPolarHBondContact CB-SG 3.44Å; C305-C377 PolarHBondContact O-SG 2.98Å; C305-C377 WeakPolarHBondContact SG-CA 3.13Å; C305-C377 WeakPolarHBondContact SG-CB 3.4Å; C305-C377 CovalentContact SG-SG 2.04Å; C305-C377 PolarHBondContact SG-SG 3.04Å
306	R	88.6	Confident	87	Confident	17 Å²	17	54.5 Å²	54.5	6%	0.064	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-96.7	143.3	174.3	65.9	172.9	175.5	72.9	4.6	111.7	G308 Y313 E359 P360 I374 P375 E376 C377	R306-G308 PolarHBondContact NH1-O 2.86Å; R306-Y313 HydrophobicContact CB-CD2 4.38Å; R306-E359 IonicContact CZ-OE1 3.62Å; R306-E359 IonicContact NE-OE1 3.92Å; R306-E359 IonicContact NH2-OE1 2.79Å; R306-E359 PolarHBondContact NH2-OE1 2.88Å; R306-P360 VanDerWaalsContact CD-CD 3.5Å; R306-I374 HydrophobicContact CB-CG2 3.92Å; R306-I374 HydrophobicContact CG-CB 4.5Å; R306-I374 HydrophobicContact CG-CG2 4.11Å; R306-P375 PolarHBondContact N-O 2.8Å; R306-E376 HydrophobicContact CG-CG 4.2Å; R306-E376 VanDerWaalsContact CZ-CG 3.48Å; R306-E376 IonicContact CZ-OE1 2.7Å; R306-E376 IonicContact NH1-OE1 2.99Å; R306-E376 PolarHBondContact NH1-OE1 2.77Å; R306-E376 IonicContact NH2-OE1 3.27Å; R306-E376 PolarHBondContact NH2-OE1 3.04Å; R306-E376 CarbonylContact O-C 3.51Å; R306-E376 WeakPolarHBondContact O-CA 3.44Å; R306-C377 PolarHBondContact O-N 2.74Å
307	V	85.1	Confident	86.7	Confident	80 Å²	80	54.3 Å²	54.3	49%	0.485	32%	0.32	S	S	.	.			trans	-102.6	129	167.4	-179.7	0	0	0	0	107.8	D309 G310 C377	V307-D309 PolarHBondContact O-N 3.13Å; V307-G310 PolarHBondContact O-N 3.37Å; V307-C377 HydrophobicContact CG2-CB 4.03Å
308	G	84.2	Confident	86.4	Confident	52 Å²	52	55 Å²	55	54%	0.536	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	-134.5	-175.9	0	0	0	0	0	112	R306 G310	R306-G308 PolarHBondContact NH1-O 2.86Å; G308-G310 PolarHBondContact O-N 2.79Å; G308-G310 VanDerWaalsContact O-N 3.09Å
309	D	84.7	Confident	86.4	Confident	51 Å²	51	52.8 Å²	52.8	27%	0.273	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.6	176.8	74.2	-19.3	0	0	0	114.3	V307 S311 N353 P358 E359 P360	V307-D309 PolarHBondContact O-N 3.13Å; D309-S311 VanDerWaalsContact C-N 3.34Å; D309-S311 WeakPolarHBondContact OD1-CB 3.22Å; D309-S311 PolarHBondContact OD1-N 3.11Å; D309-S311 PolarHBondContact OD1-OG 3.41Å; D309-N353 PolarHBondContact O-ND2 2.89Å; D309-N353 PolarHBondContact OD2-ND2 3.27Å; D309-P358 WeakPolarHBondContact CA-O 3.42Å; D309-E359 WeakPolarHBondContact O-CA 3.47Å; D309-P360 WeakPolarHBondContact O-CD 3.28Å
310	G	83.8	Confident	86.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	74.3	19.7	-175.8	0	0	0	0	0	114.5	V307 G308 T312 Y313 N353	V307-G310 PolarHBondContact O-N 3.37Å; G308-G310 PolarHBondContact O-N 2.79Å; G308-G310 VanDerWaalsContact O-N 3.09Å; G310-T312 PolarHBondContact O-N 3.17Å; G310-Y313 WeakPolarHBondContact O-CB 3.44Å; G310-Y313 PolarHBondContact O-N 2.87Å; G310-N353 WeakPolarHBondContact O-CB 3.45Å
311	S	83.3	Confident	86.5	Confident	62 Å²	62	47.4 Å²	47.4	43%	0.434	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-36.1	165.8	48.9	0	0	0	0	112.9	D309	D309-S311 VanDerWaalsContact C-N 3.34Å; D309-S311 WeakPolarHBondContact OD1-CB 3.22Å; D309-S311 PolarHBondContact OD1-N 3.11Å; D309-S311 PolarHBondContact OD1-OG 3.41Å
312	T	83.4	Confident	86.5	Confident	98 Å²	98	48.6 Å²	48.6	60%	0.601	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	1.8	177.5	58	0	0	0	0	114.4	G310 K314	G310-T312 PolarHBondContact O-N 3.17Å; T312-K314 PolarHBondContact O-N 3.31Å; T312-K314 VanDerWaalsContact O-N 3.08Å
313	Y	85.2	Confident	86.6	Confident	7 Å²	7	42.8 Å²	42.8	3%	0.027	28%	0.277	C	S	.	.			trans	-64.4	112.7	-174.6	175.4	-104	0	0	0	111.5	I303 C305 R306 G310 G315 S316 A317 C351 R352 P360 I374	I303-Y313 VanDerWaalsContact O-CE2 3.26Å; I303-Y313 WeakPolarHBondContact O-CE2 3.49Å; I303-Y313 PolarHBondContact O-OH 2.99Å; C305-Y313 WeakPolarHBondContact O-CD2 3.38Å; R306-Y313 HydrophobicContact CB-CD2 4.38Å; G310-Y313 WeakPolarHBondContact O-CB 3.44Å; G310-Y313 PolarHBondContact O-N 2.87Å; Y313-G315 WeakPolarHBondContact CE1-O 3.29Å; Y313-G315 WeakPolarHBondContact OH-CA 3.48Å; Y313-S316 PolarHBondContact OH-N 3.36Å; Y313-A317 HydrophobicContact CE1-CB 4.24Å; Y313-A317 WeakPolarHBondContact OH-CB 3.22Å; Y313-A317 PolarHBondContact OH-N 3.38Å; Y313-A317 VanDerWaalsContact OH-N 3.15Å; Y313-C351 WeakPolarHBondContact CD1-O 2.91Å; Y313-C351 HydrophobicContact CE1-CB 4.26Å; Y313-R352 WeakPolarHBondContact O-CD 3.43Å; Y313-R352 VanDerWaalsContact O-CZ 3.23Å; Y313-R352 PolarHBondContact O-NE 2.87Å; Y313-R352 PolarHBondContact O-NH1 2.92Å; Y313-P360 HydrophobicContact CD1-CB 4.49Å; Y313-P360 HydrophobicContact CD1-CG 4.43Å; Y313-P360 HydrophobicContact CG-CG 4.4Å; Y313-I374 HydrophobicContact CD1-CD1 3.72Å; Y313-I374 HydrophobicContact CD2-CD1 4.37Å; Y313-I374 HydrophobicContact CD2-CG2 3.91Å; Y313-I374 HydrophobicContact CE1-CD1 3.41Å; Y313-I374 VanDerWaalsContact CE1-CD1 3.41Å; Y313-I374 HydrophobicContact CE1-CG1 4.23Å; Y313-I374 HydrophobicContact CE2-CD1 4.11Å; Y313-I374 HydrophobicContact CE2-CG1 4.31Å; Y313-I374 HydrophobicContact CE2-CG2 3.54Å; Y313-I374 HydrophobicContact CG-CD1 4.18Å
314	K	79.9	Confident	86.6	Confident	177 Å²	177	45.6 Å²	45.6	77%	0.77	29%	0.292	S	S	*	.			trans	-104.6	3.3	177.7	-68.7	-166.2	179.5	-170.6	0	114.8	T312 R352	T312-K314 PolarHBondContact O-N 3.31Å; T312-K314 VanDerWaalsContact O-N 3.08Å; K314-R352 PolarHBondContact O-NH2 3.18Å
315	G	82.6	Confident	86.8	Confident	20 Å²	20	45.3 Å²	45.3	21%	0.206	29%	0.289	C	S	.	.	S	Bend	trans	-69.9	173.5	-176.8	0	0	0	0	0	115.1	I303 Y313 N349 R352	I303-G315 WeakPolarHBondContact O-CA 3.46Å; Y313-G315 WeakPolarHBondContact CE1-O 3.29Å; Y313-G315 WeakPolarHBondContact OH-CA 3.48Å; G315-N349 PolarHBondContact O-OD1 3.27Å; G315-R352 PolarHBondContact O-NH1 2.73Å
316	S	86.6	Confident	86.8	Confident	60 Å²	60	43.2 Å²	43.2	42%	0.42	28%	0.275	S	S	.	.			trans	-89.4	3.6	-165.9	58.9	0	0	0	0	115.6	D302 I303 Y313 N318	D302-S316 PolarHBondContact O-OG 3.26Å; I303-S316 WeakPolarHBondContact CA-OG 3.44Å; Y313-S316 PolarHBondContact OH-N 3.36Å; S316-N318 PolarHBondContact O-N 3.08Å
317	A	88.7	Confident	86.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	28%	0.284	C	S	.	.			trans	-52.6	125.1	-177.2	0	0	0	0	0	111.9	I303 Y313 Y350 C351 I374	I303-A317 HydrophobicContact CB-CB 3.98Å; I303-A317 HydrophobicContact CD1-CB 4.06Å; I303-A317 HydrophobicContact CG2-CB 4.11Å; Y313-A317 HydrophobicContact CE1-CB 4.24Å; Y313-A317 WeakPolarHBondContact OH-CB 3.22Å; Y313-A317 PolarHBondContact OH-N 3.38Å; Y313-A317 VanDerWaalsContact OH-N 3.15Å; A317-Y350 WeakPolarHBondContact O-CB 3.48Å; A317-C351 HydrophobicContact CB-CB 3.9Å; A317-C351 WeakPolarHBondContact O-CB 3.49Å; A317-C351 PolarHBondContact O-N 3.15Å; A317-C351 PolarHBondContact O-SG 3Å; A317-I374 HydrophobicContact CB-CD1 4.25Å; A317-I374 HydrophobicContact CB-CG1 4Å
318	N	88.7	Confident	86.3	Confident	46 Å²	46	44 Å²	44	25%	0.246	28%	0.28	C	S	.	.			trans	-128.7	16.1	-176.8	70.4	-10.4	0	0	0	114.1	S316 C326 Y350	S316-N318 PolarHBondContact O-N 3.08Å; N318-C326 VanDerWaalsContact C-SG 3.5Å; N318-C326 WeakPolarHBondContact O-CB 3.42Å; N318-C326 PolarHBondContact O-N 2.81Å; N318-Y350 HydrophobicContact CB-CD1 4.11Å; N318-Y350 HydrophobicContact CB-CD2 3.42Å; N318-Y350 VanDerWaalsContact CB-CD2 3.42Å; N318-Y350 HydrophobicContact CB-CE2 3.95Å; N318-Y350 HydrophobicContact CB-CG 3.51Å
319	V	90.9	Very high	85.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-132.2	137.9	177.7	167	0	0	0	0	109	P159 S160 C162 P164 L324	P159-V319 WeakPolarHBondContact O-CG1 3.24Å; S160-V319 WeakPolarHBondContact CA-O 3.5Å; S160-V319 VanDerWaalsContact CB-O 3.27Å; S160-V319 WeakPolarHBondContact CB-O 3.45Å; S160-V319 PolarHBondContact OG-O 3.04Å; C162-V319 VanDerWaalsContact O-CG2 3.24Å; C162-V319 WeakPolarHBondContact O-CG2 3.43Å; P164-V319 HydrophobicContact CB-CG2 4.36Å; P164-V319 HydrophobicContact CG-CG2 3.76Å; V319-L324 CarbonylContact C-O 3.57Å; V319-L324 VanDerWaalsContact CA-O 3.28Å; V319-L324 WeakPolarHBondContact CA-O 3.49Å
320	S	92	Very high	85.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	27%	0.266	C	S	.	.			trans	-72.3	168	177	78.1	0	0	0	0	111.9	T322 G323 L324 E370	S320-T322 PolarHBondContact O-N 2.92Å; S320-T322 VanDerWaalsContact O-N 3.1Å; S320-T322 PolarHBondContact OG-N 3.32Å; S320-T322 PolarHBondContact OG-OG1 2.78Å; S320-T322 VanDerWaalsContact OG-OG1 3.06Å; S320-G323 PolarHBondContact O-N 3.38Å; S320-L324 PolarHBondContact N-O 2.84Å; S320-L324 PolarHBondContact OG-N 2.86Å; S320-E370 VanDerWaalsContact CB-OE2 3.31Å; S320-E370 WeakPolarHBondContact CB-OE2 3.27Å; S320-E370 PolarHBondContact OG-OE2 3.09Å
321	G	89.1	Confident	85	Confident	31 Å²	31	43.5 Å²	43.5	32%	0.32	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-6.7	173.4	0	0	0	0	0	114.6	R371	G321-R371 PolarHBondContact N-O 3.46Å
322	T	88.7	Confident	84.7	Confident	94 Å²	94	45.1 Å²	45.1	58%	0.577	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-5.5	170.1	76.7	0	0	0	0	113.1	S320 E370	S320-T322 PolarHBondContact O-N 2.92Å; S320-T322 VanDerWaalsContact O-N 3.1Å; S320-T322 PolarHBondContact OG-N 3.32Å; S320-T322 PolarHBondContact OG-OG1 2.78Å; S320-T322 VanDerWaalsContact OG-OG1 3.06Å; T322-E370 WeakPolarHBondContact CB-OE2 3.26Å; T322-E370 VanDerWaalsContact CG2-OE2 3.31Å; T322-E370 WeakPolarHBondContact CG2-OE2 3.49Å; T322-E370 PolarHBondContact OG1-OE2 3.28Å
323	G	88.8	Confident	84.4	Confident	12 Å²	12	43.2 Å²	43.2	12%	0.124	28%	0.278	C	S	.	.	S	Bend	trans	92.1	5.6	-177.7	0	0	0	0	0	115.1	P164 G165 S320	P164-G323 WeakPolarHBondContact CA-O 3.47Å; G165-G323 PolarHBondContact N-O 3.25Å; S320-G323 PolarHBondContact O-N 3.38Å
324	L	89.5	Confident	83.9	Confident	62 Å²	62	43 Å²	43	33%	0.325	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-81.1	145	177.1	-69.4	179.1	0	0	0	112.3	V319 S320 C326 V364 R368	V319-L324 CarbonylContact C-O 3.57Å; V319-L324 VanDerWaalsContact CA-O 3.28Å; V319-L324 WeakPolarHBondContact CA-O 3.49Å; S320-L324 PolarHBondContact N-O 2.84Å; S320-L324 PolarHBondContact OG-N 2.86Å; L324-C326 PolarHBondContact O-N 2.68Å; L324-V364 HydrophobicContact CB-CB 4.1Å; L324-V364 HydrophobicContact CB-CG1 3.86Å; L324-V364 HydrophobicContact CD1-CB 4.29Å; L324-V364 HydrophobicContact CD1-CG2 4.03Å; L324-R368 VanDerWaalsContact CD1-NH2 3.27Å
325	G	89.8	Confident	83.5	Confident	28 Å²	28	38.7 Å²	38.7	29%	0.289	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-69.6	128.9	176.2	0	0	0	0	0	112
326	C	88.8	Confident	83	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.074	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-74.7	136.1	174.2	-62.7	0	0	0	0	110.8	N318 L324 Y350 C351 C362	N318-C326 VanDerWaalsContact C-SG 3.5Å; N318-C326 WeakPolarHBondContact O-CB 3.42Å; N318-C326 PolarHBondContact O-N 2.81Å; L324-C326 PolarHBondContact O-N 2.68Å; C326-Y350 HydrophobicContact CB-CD1 4.13Å; C326-Y350 HydrophobicContact CB-CG 4.4Å; C326-Y350 VanDerWaalsContact O-CD1 3.29Å; C326-Y350 WeakPolarHBondContact O-CD1 3.4Å; C326-C351 VanDerWaalsContact SG-SG 3.63Å; C326-C362 VanDerWaalsContact CA-SG 3.59Å; C326-C362 HydrophobicContact CB-CB 3.49Å; C326-C362 VanDerWaalsContact CB-CB 3.49Å; C326-C362 WeakPolarHBondContact CB-SG 3.26Å; C326-C362 WeakPolarHBondContact SG-CB 3.42Å; C326-C362 CovalentContact SG-SG 2.03Å; C326-C362 PolarHBondContact SG-SG 2.93Å
327	L	85.7	Confident	82.4	Confident	50 Å²	50	41.4 Å²	41.4	26%	0.262	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-69.8	140.9	170.5	-60.9	179.8	0	0	0	110.1	W329 T333 V334 I363	L327-W329 PolarHBondContact O-N 2.91Å; L327-T333 HydrophobicContact CD1-CG2 4.08Å; L327-V334 HydrophobicContact CB-CG2 3.61Å; L327-V334 HydrophobicContact CD1-CG2 4.32Å; L327-I363 WeakPolarHBondContact CB-O 3.29Å; L327-I363 HydrophobicContact CD1-CG2 4.12Å; L327-I363 PolarHBondContact N-O 2.94Å
328	P	79	Confident	81.5	Confident	62 Å²	62	42 Å²	42	40%	0.403	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-66.8	132.1	176.1	27.8	-33.7	0	0	0	109.7	A330 G331 Y350	P328-A330 PolarHBondContact O-N 2.82Å; P328-A330 VanDerWaalsContact O-N 3.12Å; P328-G331 PolarHBondContact O-N 3.37Å; P328-Y350 HydrophobicContact CB-CD1 4.36Å; P328-Y350 HydrophobicContact CB-CE1 3.78Å; P328-Y350 HydrophobicContact CG-CE1 4.5Å
329	W	75.8	Confident	80.8	Confident	13 Å²	13	43.5 Å²	43.5	5%	0.049	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.9	-174.2	-67.1	56.9	0	0	0	113.3	L327 G331 V334 L338 L346 Y350 R352 P354 W361	L327-W329 PolarHBondContact O-N 2.91Å; W329-G331 PolarHBondContact O-N 2.96Å; W329-V334 HydrophobicContact CB-CG1 4.09Å; W329-V334 HydrophobicContact CD2-CG1 4.33Å; W329-V334 HydrophobicContact CE3-CG1 4.36Å; W329-V334 HydrophobicContact CG-CG1 4.25Å; W329-L338 HydrophobicContact CD2-CD1 4.39Å; W329-L338 HydrophobicContact CE3-CD1 3.35Å; W329-L338 HydrophobicContact CZ3-CD1 3.51Å; W329-L338 HydrophobicContact CZ3-CD2 3.89Å; W329-L338 HydrophobicContact CZ3-CG 4.38Å; W329-L346 HydrophobicContact CB-CD2 3.44Å; W329-L346 VanDerWaalsContact CB-CD2 3.44Å; W329-L346 HydrophobicContact CE3-CD2 4.2Å; W329-L346 HydrophobicContact CG-CD2 4.42Å; W329-Y350 PolarHBondContact NE1-O 3.45Å; W329-R352 HydrophobicContact CH2-CB 4.31Å; W329-R352 HydrophobicContact CZ2-CB 3.84Å; W329-P354 HydrophobicContact CH2-CG 3.74Å; W329-P354 HydrophobicContact CZ3-CG 3.91Å; W329-W361 HydrophobicContact CH2-CE3 4.19Å; W329-W361 AromaticContact CH2-CH2 3.48Å; W329-W361 HydrophobicContact CH2-CH2 3.48Å; W329-W361 VanDerWaalsContact CH2-CH2 3.48Å; W329-W361 AromaticContact CH2-CZ2 3.89Å; W329-W361 HydrophobicContact CH2-CZ2 3.89Å; W329-W361 AromaticContact CH2-CZ3 3.63Å; W329-W361 HydrophobicContact CH2-CZ3 3.63Å; W329-W361 HydrophobicContact CZ2-CE3 4.26Å; W329-W361 HydrophobicContact CZ2-CH2 4.33Å; W329-W361 HydrophobicContact CZ2-CZ3 4.04Å; W329-W361 HydrophobicContact CZ3-CH2 4.15Å
330	A	73.2	Confident	79.7	Confident	56 Å²	56	51.5 Å²	51.5	46%	0.463	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-14	173.6	0	0	0	0	0	114.2	P328 K335	P328-A330 PolarHBondContact O-N 2.82Å; P328-A330 VanDerWaalsContact O-N 3.12Å; A330-K335 WeakPolarHBondContact O-CD 3.33Å; A330-K335 WeakPolarHBondContact O-CE 3.35Å; A330-K335 PolarHBondContact O-NZ 2.91Å
331	G	76.3	Confident	78.5	Confident	24 Å²	24	61.9 Å²	61.9	25%	0.247	36%	0.36	C	S	.	.	S	Bend	trans	-70.1	149	-178.9	0	0	0	0	0	113.5	P328 W329 T333 V334 K335	P328-G331 PolarHBondContact O-N 3.37Å; W329-G331 PolarHBondContact O-N 2.96Å; G331-T333 VanDerWaalsContact C-N 3.3Å; G331-T333 PolarHBondContact O-N 3.12Å; G331-V334 PolarHBondContact O-N 2.74Å; G331-K335 PolarHBondContact O-N 2.92Å
332	S	77.2	Confident	77.5	Confident	97 Å²	97	62.1 Å²	62.1	68%	0.678	35%	0.353	S	S	*	.	H	α-helix	trans	-58	-37.7	-177.8	49.2	0	0	0	0	113.6	V334 S336	S332-V334 VanDerWaalsContact C-N 3.32Å; S332-V334 PolarHBondContact O-N 3.16Å; S332-S336 PolarHBondContact O-N 3.43Å; S332-S336 VanDerWaalsContact O-N 3.14Å; S332-S336 PolarHBondContact O-OG 3.01Å
333	T	75.9	Confident	76.4	Confident	58 Å²	58	60.7 Å²	60.7	36%	0.356	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-38.1	175.2	-43.1	0	0	0	0	112.4	L327 G331 S336 S337 R366	L327-T333 HydrophobicContact CD1-CG2 4.08Å; G331-T333 VanDerWaalsContact C-N 3.3Å; G331-T333 PolarHBondContact O-N 3.12Å; T333-S336 PolarHBondContact O-OG 3.44Å; T333-S337 PolarHBondContact O-OG 3.47Å; T333-R366 HydrophobicContact CG2-CB 4.02Å; T333-R366 HydrophobicContact CG2-CG 4.26Å
334	V	74.3	Confident	75.1	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-80.5	-47.5	-179.2	176.6	0	0	0	0	110.3	L327 W329 G331 S332 S336 S337 L338 I363	L327-V334 HydrophobicContact CB-CG2 3.61Å; L327-V334 HydrophobicContact CD1-CG2 4.32Å; W329-V334 HydrophobicContact CB-CG1 4.09Å; W329-V334 HydrophobicContact CD2-CG1 4.33Å; W329-V334 HydrophobicContact CE3-CG1 4.36Å; W329-V334 HydrophobicContact CG-CG1 4.25Å; G331-V334 PolarHBondContact O-N 2.74Å; S332-V334 VanDerWaalsContact C-N 3.32Å; S332-V334 PolarHBondContact O-N 3.16Å; V334-S336 VanDerWaalsContact C-N 3.28Å; V334-S336 PolarHBondContact O-N 2.68Å; V334-S337 PolarHBondContact O-N 2.71Å; V334-S337 PolarHBondContact O-OG 2.87Å; V334-L338 HydrophobicContact CG1-CD1 3.43Å; V334-L338 VanDerWaalsContact CG1-CD1 3.43Å; V334-L338 HydrophobicContact CG1-CG 4.07Å; V334-L338 WeakPolarHBondContact O-CG 3.29Å; V334-L338 PolarHBondContact O-N 2.94Å; V334-I363 HydrophobicContact CB-CD1 4.35Å; V334-I363 HydrophobicContact CG1-CD1 3.79Å; V334-I363 HydrophobicContact CG1-CG1 4.43Å; V334-I363 HydrophobicContact CG2-CB 4.17Å; V334-I363 HydrophobicContact CG2-CD1 4.27Å; V334-I363 HydrophobicContact CG2-CG2 4.48Å
335	K	71.8	Confident	73.7	Confident	87 Å²	87	69.6 Å²	69.6	38%	0.378	38%	0.378	S	S	.	.	H	α-helix	trans	-53.2	-42.4	177.7	-76.3	176.1	170.9	161	0	113.2	A330 G331 S337 Q343 L346	A330-K335 WeakPolarHBondContact O-CD 3.33Å; A330-K335 WeakPolarHBondContact O-CE 3.35Å; A330-K335 PolarHBondContact O-NZ 2.91Å; G331-K335 PolarHBondContact O-N 2.92Å; K335-S337 VanDerWaalsContact C-N 3.28Å; K335-S337 PolarHBondContact O-N 3.02Å; K335-Q343 PolarHBondContact O-NE2 3.2Å; K335-L346 HydrophobicContact CG-CD1 4.21Å
336	S	73	Confident	72.3	Confident	92 Å²	92	70.2 Å²	70.2	64%	0.643	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.1	179	54.6	0	0	0	0	114.4	S332 T333 V334	S332-S336 PolarHBondContact O-N 3.43Å; S332-S336 VanDerWaalsContact O-N 3.14Å; S332-S336 PolarHBondContact O-OG 3.01Å; T333-S336 PolarHBondContact O-OG 3.44Å; V334-S336 VanDerWaalsContact C-N 3.28Å; V334-S336 PolarHBondContact O-N 2.68Å
337	S	72.5	Confident	70.6	Confident	45 Å²	45	77.3 Å²	77.3	32%	0.315	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-9.1	-179.1	70.7	0	0	0	0	115	T333 V334 K335 I363	T333-S337 PolarHBondContact O-OG 3.47Å; V334-S337 PolarHBondContact O-N 2.71Å; V334-S337 PolarHBondContact O-OG 2.87Å; K335-S337 VanDerWaalsContact C-N 3.28Å; K335-S337 PolarHBondContact O-N 3.02Å; S337-I363 WeakPolarHBondContact OG-CD1 3.42Å
338	L	70.8	Confident	69.1	Low	12 Å²	12	84 Å²	84	6%	0.063	44%	0.436	C	S	.	.	S	Bend	trans	-106.9	139.1	-173.9	-69.3	173.9	0	0	0	112.5	W329 V334 Q343 W361 I363	W329-L338 HydrophobicContact CD2-CD1 4.39Å; W329-L338 HydrophobicContact CE3-CD1 3.35Å; W329-L338 HydrophobicContact CZ3-CD1 3.51Å; W329-L338 HydrophobicContact CZ3-CD2 3.89Å; W329-L338 HydrophobicContact CZ3-CG 4.38Å; V334-L338 HydrophobicContact CG1-CD1 3.43Å; V334-L338 VanDerWaalsContact CG1-CD1 3.43Å; V334-L338 HydrophobicContact CG1-CG 4.07Å; V334-L338 WeakPolarHBondContact O-CG 3.29Å; V334-L338 PolarHBondContact O-N 2.94Å; L338-Q343 HydrophobicContact CB-CG 4.06Å; L338-Q343 PolarHBondContact O-NE2 2.96Å; L338-W361 HydrophobicContact CD2-CH2 3.88Å; L338-W361 HydrophobicContact CD2-CZ3 4.48Å; L338-I363 HydrophobicContact CD2-CD1 4.3Å; L338-I363 HydrophobicContact CG-CD1 4.44Å
339	P	73.7	Confident	68.2	Low	79 Å²	79	83 Å²	83	51%	0.513	43%	0.427	S	S	.	.			trans	-56	141.3	167.9	-23.1	33.4	0	0	0	111.7	R341 Q342 Q343	P339-R341 PolarHBondContact O-N 2.88Å; P339-Q342 PolarHBondContact O-N 3.23Å; P339-Q343 PolarHBondContact O-N 2.85Å
340	Y	68.2	Low	68.2	Low	167 Å²	167	86 Å²	86	66%	0.655	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-49.3	-38.5	-174.9	-178.4	-100.4	0	0	0	114.3	Q342 Q343	Y340-Q342 VanDerWaalsContact C-N 3.26Å; Y340-Q342 PolarHBondContact O-N 2.72Å; Y340-Q343 WeakPolarHBondContact O-CB 3.46Å; Y340-Q343 PolarHBondContact O-N 3.29Å; Y340-Q343 VanDerWaalsContact O-N 3.1Å
341	R	66.5	Low	69	Low	219 Å²	219	83.4 Å²	83.4	83%	0.826	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-58.4	-33.6	175.9	-68.1	-172	-174.1	178.6	2.7	113.7	P339	P339-R341 PolarHBondContact O-N 2.88Å
342	Q	68.5	Low	69.5	Low	36 Å²	36	84 Å²	84	17%	0.168	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-82.4	-20.7	179.8	-63.1	179.3	-4.1	0	0	112.1	P339 Y340 Q344 M345 P354	P339-Q342 PolarHBondContact O-N 3.23Å; Y340-Q342 VanDerWaalsContact C-N 3.26Å; Y340-Q342 PolarHBondContact O-N 2.72Å; Q342-Q344 PolarHBondContact O-N 3.02Å; Q342-M345 PolarHBondContact O-N 2.8Å; Q342-P354 HydrophobicContact CG-CB 4.23Å; Q342-P354 HydrophobicContact CG-CG 4.38Å
343	Q	65.2	Low	69.9	Low	63 Å²	63	79.7 Å²	79.7	29%	0.294	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-73	-1	175.7	-56.7	-179.8	27.6	0	0	113.8	K335 L338 P339 Y340 L346	K335-Q343 PolarHBondContact O-NE2 3.2Å; L338-Q343 HydrophobicContact CB-CG 4.06Å; L338-Q343 PolarHBondContact O-NE2 2.96Å; P339-Q343 PolarHBondContact O-N 2.85Å; Y340-Q343 WeakPolarHBondContact O-CB 3.46Å; Y340-Q343 PolarHBondContact O-N 3.29Å; Y340-Q343 VanDerWaalsContact O-N 3.1Å; Q343-L346 HydrophobicContact CB-CD1 4.22Å; Q343-L346 WeakPolarHBondContact O-CD1 3.48Å; Q343-L346 WeakPolarHBondContact O-CG 3.47Å
344	Q	61.9	Low	69.9	Low	138 Å²	138	78.3 Å²	78.3	65%	0.645	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-91.3	-12.1	175.4	-65.5	-178.7	-10.6	0	0	112.9	Q342	Q342-Q344 PolarHBondContact O-N 3.02Å
345	M	60.2	Low	70.1	Confident	124 Å²	124	81.9 Å²	81.9	61%	0.611	39%	0.393	S	S	*	.			trans	-97	24.1	-177.2	-58.3	-176.9	70.5	0	0	113.6	Q342 E347 P354	Q342-M345 PolarHBondContact O-N 2.8Å; M345-E347 VanDerWaalsContact C-N 3.27Å; M345-E347 PolarHBondContact O-N 2.92Å; M345-P354 HydrophobicContact SD-CB 3.97Å
346	L	58.9	Low	70.4	Confident	41 Å²	41	80.1 Å²	80.1	22%	0.215	40%	0.399	C	S	.	.			trans	-82.4	32.1	-164	-60	179.6	0	0	0	115.8	W329 K335 Q343 Q348	W329-L346 HydrophobicContact CB-CD2 3.44Å; W329-L346 VanDerWaalsContact CB-CD2 3.44Å; W329-L346 HydrophobicContact CE3-CD2 4.2Å; W329-L346 HydrophobicContact CG-CD2 4.42Å; K335-L346 HydrophobicContact CG-CD1 4.21Å; Q343-L346 HydrophobicContact CB-CD1 4.22Å; Q343-L346 WeakPolarHBondContact O-CD1 3.48Å; Q343-L346 WeakPolarHBondContact O-CG 3.47Å; L346-Q348 PolarHBondContact O-N 2.85Å
347	E	54.2	Low	70.9	Confident	159 Å²	159	77.1 Å²	77.1	74%	0.743	38%	0.378	S	S	*	.	S	Bend	trans	-79.5	112.2	178.8	-67.6	-173.9	160.8	0	0	112	M345 N349	M345-E347 VanDerWaalsContact C-N 3.27Å; M345-E347 PolarHBondContact O-N 2.92Å; E347-N349 VanDerWaalsContact C-N 3.27Å; E347-N349 WeakPolarHBondContact O-CB 3.44Å; E347-N349 PolarHBondContact O-N 3.19Å; E347-N349 PolarHBondContact O-ND2 2.94Å
348	Q	54	Low	71.5	Confident	190 Å²	190	80.2 Å²	80.2	89%	0.888	40%	0.397	S	S	*	.	S	Bend	trans	38.7	24.3	162.6	-69.8	-157.4	1.1	0	0	120.5	L346	L346-Q348 PolarHBondContact O-N 2.85Å
349	N	60.6	Low	72.3	Confident	41 Å²	41	81.6 Å²	81.6	22%	0.219	40%	0.403	C	S	.	.			trans	-141.3	165.4	-170.5	-69.1	-88.1	0	0	0	114.3	G315 E347 R352	G315-N349 PolarHBondContact O-OD1 3.27Å; E347-N349 VanDerWaalsContact C-N 3.27Å; E347-N349 WeakPolarHBondContact O-CB 3.44Å; E347-N349 PolarHBondContact O-N 3.19Å; E347-N349 PolarHBondContact O-ND2 2.94Å; N349-R352 VanDerWaalsContact CG-CZ 3.42Å; N349-R352 PolarHBondContact ND2-NH2 2.83Å; N349-R352 PolarHBondContact OD1-NH2 3.13Å
350	Y	76.1	Confident	73.1	Confident	78 Å²	78	77.9 Å²	77.9	31%	0.306	38%	0.379	S	S	.	.	S	Bend	trans	-121.9	-43.4	-163.2	-65.2	-91.4	0	0	0	114.1	A317 N318 C326 P328 W329 C362	A317-Y350 WeakPolarHBondContact O-CB 3.48Å; N318-Y350 HydrophobicContact CB-CD1 4.11Å; N318-Y350 HydrophobicContact CB-CD2 3.42Å; N318-Y350 VanDerWaalsContact CB-CD2 3.42Å; N318-Y350 HydrophobicContact CB-CE2 3.95Å; N318-Y350 HydrophobicContact CB-CG 3.51Å; C326-Y350 HydrophobicContact CB-CD1 4.13Å; C326-Y350 HydrophobicContact CB-CG 4.4Å; C326-Y350 VanDerWaalsContact O-CD1 3.29Å; C326-Y350 WeakPolarHBondContact O-CD1 3.4Å; P328-Y350 HydrophobicContact CB-CD1 4.36Å; P328-Y350 HydrophobicContact CB-CE1 3.78Å; P328-Y350 HydrophobicContact CG-CE1 4.5Å; W329-Y350 PolarHBondContact NE1-O 3.45Å; Y350-C362 WeakPolarHBondContact O-CB 3.36Å
351	C	88.5	Confident	74.2	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-100	119.1	171.3	-70	0	0	0	0	110.5	Y313 A317 C326 W361 C372 I374	Y313-C351 WeakPolarHBondContact CD1-O 2.91Å; Y313-C351 HydrophobicContact CE1-CB 4.26Å; A317-C351 HydrophobicContact CB-CB 3.9Å; A317-C351 WeakPolarHBondContact O-CB 3.49Å; A317-C351 PolarHBondContact O-N 3.15Å; A317-C351 PolarHBondContact O-SG 3Å; C326-C351 VanDerWaalsContact SG-SG 3.63Å; C351-W361 WeakPolarHBondContact CA-O 3.34Å; C351-C372 HydrophobicContact CB-CB 3.57Å; C351-C372 WeakPolarHBondContact CB-SG 3.29Å; C351-C372 WeakPolarHBondContact SG-CB 3.29Å; C351-C372 CovalentContact SG-SG 2.03Å; C351-C372 PolarHBondContact SG-SG 3.32Å; C351-I374 HydrophobicContact CB-CD1 4.01Å
352	R	87.1	Confident	75.3	Confident	38 Å²	38	60 Å²	60	14%	0.143	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-143.7	163.5	-177.3	-72.6	-62.8	178.2	-103.2	19.2	112.1	Y313 K314 G315 W329 N349 W361	Y313-R352 WeakPolarHBondContact O-CD 3.43Å; Y313-R352 VanDerWaalsContact O-CZ 3.23Å; Y313-R352 PolarHBondContact O-NE 2.87Å; Y313-R352 PolarHBondContact O-NH1 2.92Å; K314-R352 PolarHBondContact O-NH2 3.18Å; G315-R352 PolarHBondContact O-NH1 2.73Å; W329-R352 HydrophobicContact CH2-CB 4.31Å; W329-R352 HydrophobicContact CZ2-CB 3.84Å; N349-R352 VanDerWaalsContact CG-CZ 3.42Å; N349-R352 PolarHBondContact ND2-NH2 2.83Å; N349-R352 PolarHBondContact OD1-NH2 3.13Å; R352-W361 PolarHBondContact N-O 3Å; R352-W361 PolarHBondContact O-N 2.88Å
353	N	86	Confident	76.1	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.027	30%	0.304	C	S	.	.			trans	-128.4	66.6	176.2	-169.1	7.4	0	0	0	111.8	D309 G310 N355 G356 S357 P360	D309-N353 PolarHBondContact O-ND2 2.89Å; D309-N353 PolarHBondContact OD2-ND2 3.27Å; G310-N353 WeakPolarHBondContact O-CB 3.45Å; N353-N355 PolarHBondContact O-N 3.25Å; N353-N355 VanDerWaalsContact O-N 3.13Å; N353-N355 PolarHBondContact OD1-OD1 3.1Å; N353-G356 PolarHBondContact OD1-N 2.81Å; N353-S357 PolarHBondContact ND2-O 3.12Å; N353-S357 WeakPolarHBondContact OD1-CB 3.22Å; N353-S357 PolarHBondContact OD1-N 2.86Å; N353-P360 HydrophobicContact CB-CB 4.23Å; N353-P360 HydrophobicContact CB-CG 4.33Å
354	P	76.3	Confident	77.2	Confident	29 Å²	29	56.1 Å²	56.1	19%	0.188	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	3.3	-173.6	34.7	-39.4	0	0	0	114.1	W329 Q342 M345 W361	W329-P354 HydrophobicContact CH2-CG 3.74Å; W329-P354 HydrophobicContact CZ3-CG 3.91Å; Q342-P354 HydrophobicContact CG-CB 4.23Å; Q342-P354 HydrophobicContact CG-CG 4.38Å; M345-P354 HydrophobicContact SD-CB 3.97Å; P354-W361 HydrophobicContact CG-CZ2 3.86Å
355	N	78.3	Confident	78.3	Confident	77 Å²	77	54.4 Å²	54.4	41%	0.412	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	8.3	-171.8	71.6	-56.8	0	0	0	114.3	N353 S357 W361	N353-N355 PolarHBondContact O-N 3.25Å; N353-N355 VanDerWaalsContact O-N 3.13Å; N353-N355 PolarHBondContact OD1-OD1 3.1Å; N355-S357 VanDerWaalsContact C-N 3.31Å; N355-S357 PolarHBondContact ND2-OG 2.87Å; N355-S357 PolarHBondContact O-N 3.23Å; N355-S357 PolarHBondContact OD1-OG 3.21Å; N355-W361 PolarHBondContact OD1-NE1 2.95Å
356	G	77.8	Confident	79.2	Confident	49 Å²	49	57.4 Å²	57.4	51%	0.505	29%	0.29	S	S	.	.			trans	64	33.6	-177.1	0	0	0	0	0	113.6	N353	N353-G356 PolarHBondContact OD1-N 2.81Å
357	S	83.9	Confident	80.2	Confident	29 Å²	29	61.5 Å²	61.5	20%	0.203	31%	0.312	C	S	.	.			trans	-58.3	157.7	164.7	-69	0	0	0	0	109.9	N353 N355 E359 W361	N353-S357 PolarHBondContact ND2-O 3.12Å; N353-S357 WeakPolarHBondContact OD1-CB 3.22Å; N353-S357 PolarHBondContact OD1-N 2.86Å; N355-S357 VanDerWaalsContact C-N 3.31Å; N355-S357 PolarHBondContact ND2-OG 2.87Å; N355-S357 PolarHBondContact O-N 3.23Å; N355-S357 PolarHBondContact OD1-OG 3.21Å; S357-E359 PolarHBondContact O-N 2.97Å; S357-W361 PolarHBondContact OG-NE1 3.14Å
358	P	85	Confident	81.8	Confident	110 Å²	110	58.6 Å²	58.6	71%	0.714	29%	0.294	S	S	*	.	S	Bend	trans	-58	-24.9	-178.7	-27.8	36	0	0	0	115.5	D309	D309-P358 WeakPolarHBondContact CA-O 3.42Å
359	E	86.6	Confident	83.4	Confident	42 Å²	42	57.5 Å²	57.5	20%	0.196	28%	0.282	C	S	.	.	S	Bend	trans	-147.3	158.9	177.9	-59.2	-178	108.3	0	0	109.5	R306 D309 S357 R371	R306-E359 IonicContact CZ-OE1 3.62Å; R306-E359 IonicContact NE-OE1 3.92Å; R306-E359 IonicContact NH2-OE1 2.79Å; R306-E359 PolarHBondContact NH2-OE1 2.88Å; D309-E359 WeakPolarHBondContact O-CA 3.47Å; S357-E359 PolarHBondContact O-N 2.97Å; E359-R371 WeakPolarHBondContact OE2-CD 3.49Å; E359-R371 IonicContact OE2-NH1 3.88Å; E359-R371 PolarHBondContact OE2-NH1 3.11Å
360	P	90.8	Very high	84.8	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.277	C	S	.	.			trans	-62.5	151.8	173.3	-18.4	32.1	0	0	0	112.4	R306 D309 Y313 N353 C372 I374	R306-P360 VanDerWaalsContact CD-CD 3.5Å; D309-P360 WeakPolarHBondContact O-CD 3.28Å; Y313-P360 HydrophobicContact CD1-CB 4.49Å; Y313-P360 HydrophobicContact CD1-CG 4.43Å; Y313-P360 HydrophobicContact CG-CG 4.4Å; N353-P360 HydrophobicContact CB-CB 4.23Å; N353-P360 HydrophobicContact CB-CG 4.33Å; P360-C372 PolarHBondContact O-N 3.01Å; P360-I374 HydrophobicContact CB-CD1 3.72Å; P360-I374 HydrophobicContact CG-CD1 3.78Å
361	W	91.2	Very high	85.6	Confident	12 Å²	12	60.8 Å²	60.8	5%	0.045	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	167.4	-174.7	56.9	-88.5	0	0	0	111	W329 L338 C351 R352 P354 N355 S357 I363 R369 E370	W329-W361 HydrophobicContact CH2-CE3 4.19Å; W329-W361 AromaticContact CH2-CH2 3.48Å; W329-W361 HydrophobicContact CH2-CH2 3.48Å; W329-W361 VanDerWaalsContact CH2-CH2 3.48Å; W329-W361 AromaticContact CH2-CZ2 3.89Å; W329-W361 HydrophobicContact CH2-CZ2 3.89Å; W329-W361 AromaticContact CH2-CZ3 3.63Å; W329-W361 HydrophobicContact CH2-CZ3 3.63Å; W329-W361 HydrophobicContact CZ2-CE3 4.26Å; W329-W361 HydrophobicContact CZ2-CH2 4.33Å; W329-W361 HydrophobicContact CZ2-CZ3 4.04Å; W329-W361 HydrophobicContact CZ3-CH2 4.15Å; L338-W361 HydrophobicContact CD2-CH2 3.88Å; L338-W361 HydrophobicContact CD2-CZ3 4.48Å; C351-W361 WeakPolarHBondContact CA-O 3.34Å; R352-W361 PolarHBondContact N-O 3Å; R352-W361 PolarHBondContact O-N 2.88Å; P354-W361 HydrophobicContact CG-CZ2 3.86Å; N355-W361 PolarHBondContact OD1-NE1 2.95Å; S357-W361 PolarHBondContact OG-NE1 3.14Å; W361-I363 HydrophobicContact CZ3-CG1 3.98Å; W361-R369 HydrophobicContact CE3-CB 4.26Å; W361-R369 HydrophobicContact CE3-CG 3.79Å; W361-R369 HydrophobicContact CZ3-CG 3.68Å; W361-E370 CarbonylContact C-O 3.58Å; W361-E370 WeakPolarHBondContact CA-O 2.91Å; W361-E370 VanDerWaalsContact CB-O 3.25Å; W361-E370 WeakPolarHBondContact CB-O 3.21Å
362	C	89.5	Confident	85.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	167.3	172	76	0	0	0	0	111.3	C326 Y350 R369 E370	C326-C362 VanDerWaalsContact CA-SG 3.59Å; C326-C362 HydrophobicContact CB-CB 3.49Å; C326-C362 VanDerWaalsContact CB-CB 3.49Å; C326-C362 WeakPolarHBondContact CB-SG 3.26Å; C326-C362 WeakPolarHBondContact SG-CB 3.42Å; C326-C362 CovalentContact SG-SG 2.03Å; C326-C362 PolarHBondContact SG-SG 2.93Å; Y350-C362 WeakPolarHBondContact O-CB 3.36Å; C362-R369 WeakPolarHBondContact O-CA 3.42Å; C362-E370 PolarHBondContact N-O 3.37Å; C362-E370 PolarHBondContact O-N 2.82Å
363	I	86.9	Confident	86.1	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.2	169.7	-52.3	-164.7	0	0	0	107.1	L327 V334 S337 L338 W361 E365 R368 R369	L327-I363 WeakPolarHBondContact CB-O 3.29Å; L327-I363 HydrophobicContact CD1-CG2 4.12Å; L327-I363 PolarHBondContact N-O 2.94Å; V334-I363 HydrophobicContact CB-CD1 4.35Å; V334-I363 HydrophobicContact CG1-CD1 3.79Å; V334-I363 HydrophobicContact CG1-CG1 4.43Å; V334-I363 HydrophobicContact CG2-CB 4.17Å; V334-I363 HydrophobicContact CG2-CD1 4.27Å; V334-I363 HydrophobicContact CG2-CG2 4.48Å; S337-I363 WeakPolarHBondContact OG-CD1 3.42Å; L338-I363 HydrophobicContact CD2-CD1 4.3Å; L338-I363 HydrophobicContact CG-CD1 4.44Å; W361-I363 HydrophobicContact CZ3-CG1 3.98Å; I363-E365 WeakPolarHBondContact CG2-O 3.1Å; I363-R368 WeakPolarHBondContact CA-O 3.44Å; I363-R369 HydrophobicContact CG1-CG 4.05Å
364	V	87.9	Confident	86.3	Confident	11 Å²	11	60 Å²	60	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-33.1	-180	-63.9	0	0	0	0	111.8	L324 R368 E370	L324-V364 HydrophobicContact CB-CB 4.1Å; L324-V364 HydrophobicContact CB-CG1 3.86Å; L324-V364 HydrophobicContact CD1-CB 4.29Å; L324-V364 HydrophobicContact CD1-CG2 4.03Å; V364-R368 HydrophobicContact CG2-CB 4.12Å; V364-R368 HydrophobicContact CG2-CG 3.67Å; V364-R368 PolarHBondContact N-O 3.43Å; V364-E370 HydrophobicContact CG1-CB 4.3Å; V364-E370 HydrophobicContact CG1-CG 4.4Å; V364-E370 HydrophobicContact CG2-CG 3.94Å
365	E	85.2	Confident	86.9	Confident	102 Å²	102	59.8 Å²	59.8	48%	0.477	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	167.8	176.6	-61	171.8	141	0	0	108.3	I363 D367 R368	I363-E365 WeakPolarHBondContact CG2-O 3.1Å; E365-D367 PolarHBondContact O-N 2.77Å; E365-R368 HydrophobicContact CB-CB 4.01Å; E365-R368 PolarHBondContact O-N 3.5Å; E365-R368 IonicContact OE1-NH1 3.43Å; E365-R368 WeakPolarHBondContact OE2-CD 3.45Å; E365-R368 IonicContact OE2-CZ 3.18Å; E365-R368 IonicContact OE2-NE 2.85Å; E365-R368 IonicContact OE2-NH1 2.71Å; E365-R368 PolarHBondContact OE2-NH1 2.93Å
366	R	78.7	Confident	87.4	Confident	188 Å²	188	62 Å²	62	71%	0.709	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	128.4	174.2	-169.3	-178	177	163.8	1.9	109.3	T333 R368	T333-R366 HydrophobicContact CG2-CB 4.02Å; T333-R366 HydrophobicContact CG2-CG 4.26Å; R366-R368 PolarHBondContact O-N 3.43Å; R366-R368 VanDerWaalsContact O-N 3.1Å
367	D	79.2	Confident	87.7	Confident	127 Å²	127	61.3 Å²	61.3	68%	0.679	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	3.6	-177.6	-50.1	-46.4	0	0	0	116.6	E365	E365-D367 PolarHBondContact O-N 2.77Å
368	R	87.8	Confident	87.2	Confident	97 Å²	97	65.9 Å²	65.9	37%	0.366	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.5	177.7	-172.2	-179.5	169.6	175.8	0.7	112.3	L324 I363 V364 E365 R366 E370	L324-R368 VanDerWaalsContact CD1-NH2 3.27Å; I363-R368 WeakPolarHBondContact CA-O 3.44Å; V364-R368 HydrophobicContact CG2-CB 4.12Å; V364-R368 HydrophobicContact CG2-CG 3.67Å; V364-R368 PolarHBondContact N-O 3.43Å; E365-R368 HydrophobicContact CB-CB 4.01Å; E365-R368 PolarHBondContact O-N 3.5Å; E365-R368 IonicContact OE1-NH1 3.43Å; E365-R368 WeakPolarHBondContact OE2-CD 3.45Å; E365-R368 IonicContact OE2-CZ 3.18Å; E365-R368 IonicContact OE2-NE 2.85Å; E365-R368 IonicContact OE2-NH1 2.71Å; E365-R368 PolarHBondContact OE2-NH1 2.93Å; R366-R368 PolarHBondContact O-N 3.43Å; R366-R368 VanDerWaalsContact O-N 3.1Å; R368-E370 IonicContact CZ-OE1 3.58Å; R368-E370 IonicContact NE-OE1 3.91Å; R368-E370 PolarHBondContact NE-OE1 3.45Å; R368-E370 IonicContact NH2-OE1 3.14Å; R368-E370 PolarHBondContact NH2-OE1 3.03Å
369	R	87.5	Confident	85.7	Confident	167 Å²	167	65.2 Å²	65.2	63%	0.63	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	139	174	-76	173.2	-75.6	176.3	-4.6	110.8	W361 C362 I363	W361-R369 HydrophobicContact CE3-CB 4.26Å; W361-R369 HydrophobicContact CE3-CG 3.79Å; W361-R369 HydrophobicContact CZ3-CG 3.68Å; C362-R369 WeakPolarHBondContact O-CA 3.42Å; I363-R369 HydrophobicContact CG1-CG 4.05Å
370	E	91.1	Very high	83.4	Confident	25 Å²	25	66.1 Å²	66.1	12%	0.117	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146	175.6	-65.8	-167.9	172.1	0	0	111.4	S320 T322 W361 C362 V364 R368	S320-E370 VanDerWaalsContact CB-OE2 3.31Å; S320-E370 WeakPolarHBondContact CB-OE2 3.27Å; S320-E370 PolarHBondContact OG-OE2 3.09Å; T322-E370 WeakPolarHBondContact CB-OE2 3.26Å; T322-E370 VanDerWaalsContact CG2-OE2 3.31Å; T322-E370 WeakPolarHBondContact CG2-OE2 3.49Å; T322-E370 PolarHBondContact OG1-OE2 3.28Å; W361-E370 CarbonylContact C-O 3.58Å; W361-E370 WeakPolarHBondContact CA-O 2.91Å; W361-E370 VanDerWaalsContact CB-O 3.25Å; W361-E370 WeakPolarHBondContact CB-O 3.21Å; C362-E370 PolarHBondContact N-O 3.37Å; C362-E370 PolarHBondContact O-N 2.82Å; V364-E370 HydrophobicContact CG1-CB 4.3Å; V364-E370 HydrophobicContact CG1-CG 4.4Å; V364-E370 HydrophobicContact CG2-CG 3.94Å; R368-E370 IonicContact CZ-OE1 3.58Å; R368-E370 IonicContact NE-OE1 3.91Å; R368-E370 PolarHBondContact NE-OE1 3.45Å; R368-E370 IonicContact NH2-OE1 3.14Å; R368-E370 PolarHBondContact NH2-OE1 3.03Å
371	R	93	Very high	80.7	Confident	164 Å²	164	72.7 Å²	72.7	62%	0.619	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	148	171.6	-76	-179.2	-87.2	-176.2	-8.6	110.4	G321 E359	G321-R371 PolarHBondContact N-O 3.46Å; E359-R371 WeakPolarHBondContact OE2-CD 3.49Å; E359-R371 IonicContact OE2-NH1 3.88Å; E359-R371 PolarHBondContact OE2-NH1 3.11Å
372	C	92.3	Very high	77.9	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.007	38%	0.381	C	S	.	.			trans	-102	130.9	170.8	-60.7	0	0	0	0	109.7	C351 P360 I374	C351-C372 HydrophobicContact CB-CB 3.57Å; C351-C372 WeakPolarHBondContact CB-SG 3.29Å; C351-C372 WeakPolarHBondContact SG-CB 3.29Å; C351-C372 CovalentContact SG-SG 2.03Å; C351-C372 PolarHBondContact SG-SG 3.32Å; P360-C372 PolarHBondContact O-N 3.01Å; C372-I374 VanDerWaalsContact C-N 3.28Å; C372-I374 HydrophobicContact CB-CD1 3.8Å; C372-I374 HydrophobicContact CB-CG1 4.16Å; C372-I374 PolarHBondContact O-N 3.05Å
373	D	92.3	Very high	75	Confident	22 Å²	22	85.2 Å²	85.2	12%	0.118	42%	0.416	C	S	.	.			trans	-87.5	70.5	-174.7	-170.2	24.1	0	0	0	110.5	R99 Y158 P159 S160	R99-D373 IonicContact CZ-OD1 2.84Å; R99-D373 IonicContact CZ-OD2 2.81Å; R99-D373 IonicContact NH1-OD1 2.63Å; R99-D373 PolarHBondContact NH1-OD1 3.12Å; R99-D373 IonicContact NH1-OD2 3.74Å; R99-D373 PolarHBondContact NH1-OD2 3.32Å; R99-D373 IonicContact NH2-OD1 3.02Å; R99-D373 PolarHBondContact NH2-OD1 2.92Å; R99-D373 IonicContact NH2-OD2 3.58Å; R99-D373 PolarHBondContact NH2-OD2 2.68Å; Y158-D373 WeakPolarHBondContact CA-OD2 3.39Å; P159-D373 WeakPolarHBondContact CD-OD2 3.46Å; S160-D373 PolarHBondContact OG-N 3.1Å
374	I	90.9	Very high	72.3	Confident	2 Å²	2	91.7 Å²	91.7	1%	0.01	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-88.6	130.6	-179.1	-66.1	151.6	0	0	0	108.8	I303 R306 Y313 A317 C351 P360 C372	I303-I374 HydrophobicContact CD1-CG1 4.32Å; R306-I374 HydrophobicContact CB-CG2 3.92Å; R306-I374 HydrophobicContact CG-CB 4.5Å; R306-I374 HydrophobicContact CG-CG2 4.11Å; Y313-I374 HydrophobicContact CD1-CD1 3.72Å; Y313-I374 HydrophobicContact CD2-CD1 4.37Å; Y313-I374 HydrophobicContact CD2-CG2 3.91Å; Y313-I374 HydrophobicContact CE1-CD1 3.41Å; Y313-I374 VanDerWaalsContact CE1-CD1 3.41Å; Y313-I374 HydrophobicContact CE1-CG1 4.23Å; Y313-I374 HydrophobicContact CE2-CD1 4.11Å; Y313-I374 HydrophobicContact CE2-CG1 4.31Å; Y313-I374 HydrophobicContact CE2-CG2 3.54Å; Y313-I374 HydrophobicContact CG-CD1 4.18Å; A317-I374 HydrophobicContact CB-CD1 4.25Å; A317-I374 HydrophobicContact CB-CG1 4Å; C351-I374 HydrophobicContact CB-CD1 4.01Å; P360-I374 HydrophobicContact CB-CD1 3.72Å; P360-I374 HydrophobicContact CG-CD1 3.78Å; C372-I374 VanDerWaalsContact C-N 3.28Å; C372-I374 HydrophobicContact CB-CD1 3.8Å; C372-I374 HydrophobicContact CB-CG1 4.16Å; C372-I374 PolarHBondContact O-N 3.05Å
375	P	89.6	Confident	69.6	Low	26 Å²	26	95.9 Å²	95.9	17%	0.169	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-62.2	144.5	178	26.5	-34.5	0	0	0	111.4	Y158 G304 C305 R306	Y158-P375 HydrophobicContact CD1-CB 4.15Å; Y158-P375 HydrophobicContact CE1-CB 3.74Å; G304-P375 WeakPolarHBondContact O-CG 3.42Å; C305-P375 CarbonylContact C-O 3.59Å; C305-P375 WeakPolarHBondContact CA-O 3.23Å; C305-P375 HydrophobicContact CB-CG 4.37Å; C305-P375 VanDerWaalsContact CB-O 3.23Å; C305-P375 WeakPolarHBondContact CB-O 3.3Å; R306-P375 PolarHBondContact N-O 2.8Å
376	E	88	Confident	66.9	Low	123 Å²	123	98.6 Å²	98.6	58%	0.575	49%	0.494	S	S	*	.	B	Isolated β-bridge	trans	-72	140	170.7	-73.4	-178.9	-178.4	0	0	110.6	R306 V378	R306-E376 HydrophobicContact CG-CG 4.2Å; R306-E376 VanDerWaalsContact CZ-CG 3.48Å; R306-E376 IonicContact CZ-OE1 2.7Å; R306-E376 IonicContact NH1-OE1 2.99Å; R306-E376 PolarHBondContact NH1-OE1 2.77Å; R306-E376 IonicContact NH2-OE1 3.27Å; R306-E376 PolarHBondContact NH2-OE1 3.04Å; R306-E376 CarbonylContact O-C 3.51Å; R306-E376 WeakPolarHBondContact O-CA 3.44Å; E376-V378 PolarHBondContact O-N 2.94Å
377	C	84.4	Confident	64.7	Low	35 Å²	35	98.2 Å²	98.2	24%	0.236	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-66.6	128.7	173.2	-62.3	0	0	0	0	109.2	C305 R306 V307 V379	C305-C377 HydrophobicContact CB-CB 3.94Å; C305-C377 WeakPolarHBondContact CB-SG 3.44Å; C305-C377 PolarHBondContact O-SG 2.98Å; C305-C377 WeakPolarHBondContact SG-CA 3.13Å; C305-C377 WeakPolarHBondContact SG-CB 3.4Å; C305-C377 CovalentContact SG-SG 2.04Å; C305-C377 PolarHBondContact SG-SG 3.04Å; R306-C377 PolarHBondContact O-N 2.74Å; V307-C377 HydrophobicContact CG2-CB 4.03Å; C377-V379 VanDerWaalsContact C-N 3.27Å; C377-V379 PolarHBondContact O-N 3.33Å
378	V	73	Confident	62.6	Low	125 Å²	125	99.2 Å²	99.2	76%	0.758	50%	0.501	S	S	*	.			trans	-73.3	82.4	179.6	-174.2	0	0	0	0	110.2	E376 S380 K426	E376-V378 PolarHBondContact O-N 2.94Å; V378-S380 PolarHBondContact O-N 2.74Å; V378-S380 VanDerWaalsContact O-N 3.16Å; V378-K426 PolarHBondContact O-NZ 3.43Å; V378-K426 VanDerWaalsContact O-NZ 3.16Å
379	V	53.7	Low	60	Low	96 Å²	96	99.6 Å²	99.6	58%	0.582	52%	0.518	S	S	*	.			trans	-65.1	109.7	170.7	-168.6	0	0	0	0	107.9	C377 N381	C377-V379 VanDerWaalsContact C-N 3.27Å; C377-V379 PolarHBondContact O-N 3.33Å; V379-N381 VanDerWaalsContact CG1-OD1 3.31Å; V379-N381 WeakPolarHBondContact CG1-OD1 3.43Å; V379-N381 PolarHBondContact O-N 3.34Å
380	S	39.3	Very low	57.2	Low	61 Å²	61	96.7 Å²	96.7	43%	0.427	52%	0.524	S	S	.	.			trans	-77.2	104.1	166.8	37.8	0	0	0	0	107.9	V378 D382 K426	V378-S380 PolarHBondContact O-N 2.74Å; V378-S380 VanDerWaalsContact O-N 3.16Å; S380-D382 PolarHBondContact O-N 3.19Å; S380-K426 PolarHBondContact OG-NZ 2.84Å
381	N	34.1	Very low	54.3	Low	137 Å²	137	100.5 Å²	100.5	73%	0.733	55%	0.553	S	S	*	*			trans	-80	11.6	173.4	-85.5	0.6	0	0	0	113.4	V379 I383	V379-N381 VanDerWaalsContact CG1-OD1 3.31Å; V379-N381 WeakPolarHBondContact CG1-OD1 3.43Å; V379-N381 PolarHBondContact O-N 3.34Å; N381-I383 PolarHBondContact O-N 2.84Å
382	D	32.1	Very low	51.3	Low	129 Å²	129	100.8 Å²	100.8	69%	0.69	57%	0.566	S	S	*	*			trans	-75.4	63.5	167.6	-56.1	-51.8	0	0	0	110.5	S380	S380-D382 PolarHBondContact O-N 3.19Å
383	I	27.9	Very low	48.5	Very low	146 Å²	146	109.4 Å²	109.4	75%	0.749	61%	0.606	S	S	*	*			trans	-92.8	82.6	160.6	-55.9	177.5	0	0	0	106.1	N381	N381-I383 PolarHBondContact O-N 2.84Å
384	L	30.6	Very low	45.6	Very low	142 Å²	142	113.2 Å²	113.2	74%	0.743	63%	0.633	S	S	*	*			trans	-92.7	129.8	162.4	-83.6	164	0	0	0	108.2
385	T	30.9	Very low	43	Very low	98 Å²	98	116.1 Å²	116.1	60%	0.601	66%	0.664	S	S	*	*			trans	-69.1	150.9	-174.2	44.6	0	0	0	0	112.3	E387 Q388	T385-E387 PolarHBondContact O-N 3.25Å; T385-Q388 PolarHBondContact O-N 2.94Å
386	D	29.2	Very low	40.7	Very low	159 Å²	159	123.5 Å²	123.5	85%	0.85	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-5.8	-168.2	-88.9	-45.7	0	0	0	116.8
387	E	32.7	Very low	38.4	Very low	181 Å²	181	122.1 Å²	122.1	85%	0.846	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-1	-175.4	-69.6	-173.8	125.4	0	0	115.4	T385	T385-E387 PolarHBondContact O-N 3.25Å
388	Q	35.1	Very low	36.2	Very low	148 Å²	148	127 Å²	127	69%	0.692	71%	0.709	S	S	*	*	S	Bend	trans	-112.4	7.9	178.2	-67.9	-171.1	-10.2	0	0	114.9	T385 S390	T385-Q388 PolarHBondContact O-N 2.94Å; Q388-S390 VanDerWaalsContact C-N 3.32Å; Q388-S390 PolarHBondContact O-N 3.26Å
389	S	32.7	Very low	34.6	Very low	104 Å²	104	123.1 Å²	123.1	73%	0.727	68%	0.684	S	S	*	*			trans	-85	8.3	-175.8	67.6	0	0	0	0	115.4
390	S	28.6	Very low	34	Very low	107 Å²	107	126.3 Å²	126.3	75%	0.748	69%	0.69	S	S	*	*	S	Bend	trans	-101.6	8.1	-160.1	56	0	0	0	0	117	Q388	Q388-S390 VanDerWaalsContact C-N 3.32Å; Q388-S390 PolarHBondContact O-N 3.26Å
391	S	29.7	Very low	34.2	Very low	105 Å²	105	125.8 Å²	125.8	73%	0.734	69%	0.686	S	S	*	*	S	Bend	trans	-143.6	21.2	-172.1	70.2	0	0	0	0	117.9
392	L	31.3	Very low	34.9	Very low	170 Å²	170	121.9 Å²	121.9	89%	0.89	68%	0.677	S	S	*	*			trans	-133.1	94.5	165.6	-141.7	79	0	0	0	109.8	C394	L392-C394 PolarHBondContact O-N 2.76Å
393	E	33.4	Very low	35.3	Very low	181 Å²	181	123.4 Å²	123.4	85%	0.846	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-63	118.3	178.8	-67.7	-172	126.8	0	0	110.3	G395	E393-G395 PolarHBondContact O-N 2.81Å
394	C	30.5	Very low	36	Very low	102 Å²	102	118.8 Å²	118.8	69%	0.689	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-56.1	127	151.6	-76.3	0	0	0	0	107.4	L392 K396	L392-C394 PolarHBondContact O-N 2.76Å; C394-K396 PolarHBondContact O-N 3.5Å
395	G	37.2	Very low	36.4	Very low	64 Å²	64	121.5 Å²	121.5	66%	0.66	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-48.4	131.4	158.3	0	0	0	0	0	107.6	E393 D397	E393-G395 PolarHBondContact O-N 2.81Å; G395-D397 PolarHBondContact O-N 2.82Å
396	K	40.9	Very low	36.6	Very low	180 Å²	180	122.9 Å²	122.9	78%	0.783	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-0.9	-159.2	-74.3	174	176.6	168.3	0	115.6	C394 F412	C394-K396 PolarHBondContact O-N 3.5Å; K396-F412 WeakPolarHBondContact O-CE2 3.25Å; K396-F412 WeakPolarHBondContact O-CZ 3.35Å
397	D	39.1	Very low	37	Very low	95 Å²	95	118 Å²	118	51%	0.508	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-131.5	17.9	-150.2	-62.6	3	0	0	0	115.4	G395 F412	G395-D397 PolarHBondContact O-N 2.82Å; D397-F412 HydrophobicContact CB-CD1 3.56Å; D397-F412 HydrophobicContact CB-CE1 3.68Å; D397-F412 HydrophobicContact CB-CG 4.42Å; D397-F412 VanDerWaalsContact CG-CE1 3.49Å; D397-F412 CarbonylContact O-C 3.57Å; D397-F412 WeakPolarHBondContact O-CA 3.31Å; D397-F412 WeakPolarHBondContact O-CB 3.4Å; D397-F412 WeakPolarHBondContact O-CD1 3.36Å; D397-F412 WeakPolarHBondContact OD1-CE1 3.49Å
398	E	37.8	Very low	37.3	Very low	136 Å²	136	114.3 Å²	114.3	64%	0.636	64%	0.643	S	S	*	*			trans	-135.1	125.7	178.9	-66.3	-162.4	161.9	0	0	116.3	F412	E398-F412 WeakPolarHBondContact CA-O 3.22Å
399	I	40.6	Very low	37.6	Very low	45 Å²	45	113.2 Å²	113.2	23%	0.231	64%	0.636	C	S	.	*			trans	-141.2	130.7	173.1	-60.8	178	0	0	0	111	F412 C413 L425	I399-F412 PolarHBondContact N-O 3.26Å; I399-C413 PolarHBondContact O-SG 3.13Å; I399-C413 VanDerWaalsContact O-SG 3.37Å; I399-L425 HydrophobicContact CG2-CD1 3.61Å
400	K	41.2	Very low	38.1	Very low	163 Å²	163	109.6 Å²	109.6	71%	0.709	61%	0.61	S	S	*	*			trans	-96.1	127.8	166.4	-87.1	176.6	179.5	162.1	0	112.1
401	C	43.5	Very low	38.7	Very low	50 Å²	50	109.1 Å²	109.1	34%	0.338	60%	0.603	S	S	.	*			trans	-109.8	157.4	170.1	-67.2	0	0	0	0	110.1	L404 C431	C401-L404 HydrophobicContact CB-CD1 3.99Å; C401-C431 WeakPolarHBondContact CA-SG 3.35Å; C401-C431 HydrophobicContact CB-CB 3.95Å; C401-C431 WeakPolarHBondContact CB-SG 3.33Å; C401-C431 WeakPolarHBondContact SG-CB 3.25Å; C401-C431 CovalentContact SG-SG 2.03Å; C401-C431 PolarHBondContact SG-SG 2.81Å
402	G	48.6	Very low	39.3	Very low	54 Å²	54	107.2 Å²	107.2	56%	0.557	58%	0.581	S	S	*	*	S	Bend	trans	-70.6	-125.3	-175.8	0	0	0	0	0	114.6	L404	G402-L404 PolarHBondContact O-N 2.7Å
403	D	40.5	Very low	39.7	Very low	162 Å²	162	103 Å²	103	87%	0.866	57%	0.565	S	S	*	*	S	Bend	trans	-67.8	23	-172.9	-59.3	-59.9	0	0	0	116	Q405	D403-Q405 PolarHBondContact O-N 3.14Å
404	L	42.1	Very low	39.7	Very low	49 Å²	49	102.8 Å²	102.8	26%	0.257	57%	0.569	S	S	.	*			trans	-90.7	66.4	-176.7	-74.1	160.1	0	0	0	111.8	C401 G402 M406 Y407 C431	C401-L404 HydrophobicContact CB-CD1 3.99Å; G402-L404 PolarHBondContact O-N 2.7Å; L404-M406 PolarHBondContact O-N 3.32Å; L404-M406 VanDerWaalsContact O-N 3.11Å; L404-Y407 HydrophobicContact CD2-CD2 3.95Å; L404-Y407 HydrophobicContact CD2-CE2 3.73Å; L404-C431 HydrophobicContact CD1-CB 4.15Å
405	Q	38.2	Very low	39.9	Very low	198 Å²	198	101.7 Å²	101.7	93%	0.925	57%	0.567	S	S	*	*			trans	-71.3	6.8	176.9	-83.8	-159.3	-28.1	0	0	115.7	D403	D403-Q405 PolarHBondContact O-N 3.14Å
406	M	36	Very low	39.7	Very low	127 Å²	127	109.9 Å²	109.9	63%	0.626	58%	0.578	S	S	*	*			trans	-134.9	46.6	-167.3	-67.2	-174.6	63.8	0	0	115.8	L404 N444	L404-M406 PolarHBondContact O-N 3.32Å; L404-M406 VanDerWaalsContact O-N 3.11Å; M406-N444 PolarHBondContact O-ND2 3.32Å
407	Y	37.7	Very low	39.2	Very low	57 Å²	57	108.1 Å²	108.1	22%	0.224	58%	0.577	C	S	.	*			trans	-136.9	72.9	173	-76.5	-71.9	0	0	0	114.3	L404 K409 I442 N444 S445	L404-Y407 HydrophobicContact CD2-CD2 3.95Å; L404-Y407 HydrophobicContact CD2-CE2 3.73Å; Y407-K409 VanDerWaalsContact C-N 3.28Å; Y407-K409 PolarHBondContact O-N 2.85Å; Y407-I442 WeakPolarHBondContact CE1-O 2.99Å; Y407-N444 HydrophobicContact CD1-CB 3.76Å; Y407-N444 HydrophobicContact CE1-CB 3.2Å; Y407-N444 VanDerWaalsContact CE1-N 3.31Å; Y407-N444 PolarHBondContact OH-N 3.12Å; Y407-S445 WeakPolarHBondContact OH-CB 3.35Å; Y407-S445 PolarHBondContact OH-N 3.07Å; Y407-S445 PolarHBondContact OH-OG 2.67Å
408	A	38.4	Very low	38.7	Very low	103 Å²	103	112 Å²	112	85%	0.851	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	76.5	168.5	0	0	0	0	0	111.2
409	K	41.2	Very low	38.2	Very low	126 Å²	126	113.2 Å²	113.2	55%	0.548	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-174.2	-9.8	160.7	-111.1	171.9	-177.4	-173.9	0	115.8	Y407 T411 I442	Y407-K409 VanDerWaalsContact C-N 3.28Å; Y407-K409 PolarHBondContact O-N 2.85Å; K409-T411 PolarHBondContact O-N 2.98Å; K409-T411 VanDerWaalsContact O-N 3.1Å; K409-T411 PolarHBondContact O-OG1 3.15Å; K409-I442 HydrophobicContact CB-CD1 4.34Å; K409-I442 HydrophobicContact CD-CD1 3.42Å; K409-I442 VanDerWaalsContact CD-CD1 3.42Å
410	C	42.6	Very low	37.7	Very low	27 Å²	27	117.3 Å²	117.3	18%	0.182	61%	0.61	C	S	.	*			trans	-73.2	103.4	169	-156.9	0	0	0	0	107.6	F412 C435	C410-F412 PolarHBondContact O-N 3.36Å; C410-C435 HydrophobicContact CB-CB 4.18Å; C410-C435 WeakPolarHBondContact CB-SG 3.03Å; C410-C435 WeakPolarHBondContact SG-CB 3.27Å; C410-C435 CovalentContact SG-SG 2.06Å; C410-C435 PolarHBondContact SG-SG 3.49Å
411	T	42.7	Very low	37.2	Very low	97 Å²	97	117.4 Å²	117.4	60%	0.595	62%	0.617	S	S	*	*	S	Bend	trans	-71.8	21.7	-155.5	-29.1	0	0	0	0	116	K409 N440	K409-T411 PolarHBondContact O-N 2.98Å; K409-T411 VanDerWaalsContact O-N 3.1Å; K409-T411 PolarHBondContact O-OG1 3.15Å; T411-N440 PolarHBondContact OG1-ND2 3.02Å
412	F	42.2	Very low	36.7	Very low	65 Å²	65	121.9 Å²	121.9	29%	0.285	63%	0.633	S	S	.	*	S	Bend	trans	-128.9	35.1	-165.8	-68.7	-23.3	0	0	0	113.4	K396 D397 E398 I399 C410	K396-F412 WeakPolarHBondContact O-CE2 3.25Å; K396-F412 WeakPolarHBondContact O-CZ 3.35Å; D397-F412 HydrophobicContact CB-CD1 3.56Å; D397-F412 HydrophobicContact CB-CE1 3.68Å; D397-F412 HydrophobicContact CB-CG 4.42Å; D397-F412 VanDerWaalsContact CG-CE1 3.49Å; D397-F412 CarbonylContact O-C 3.57Å; D397-F412 WeakPolarHBondContact O-CA 3.31Å; D397-F412 WeakPolarHBondContact O-CB 3.4Å; D397-F412 WeakPolarHBondContact O-CD1 3.36Å; D397-F412 WeakPolarHBondContact OD1-CE1 3.49Å; E398-F412 WeakPolarHBondContact CA-O 3.22Å; I399-F412 PolarHBondContact N-O 3.26Å; C410-F412 PolarHBondContact O-N 3.36Å
413	C	40.2	Very low	36	Very low	83 Å²	83	122.9 Å²	122.9	56%	0.561	63%	0.63	S	S	*	*	S	Bend	trans	-137.4	2.2	-171.7	-70.8	0	0	0	0	115.8	I399	I399-C413 PolarHBondContact O-SG 3.13Å; I399-C413 VanDerWaalsContact O-SG 3.37Å
414	L	32.4	Very low	36	Very low	176 Å²	176	123.1 Å²	123.1	92%	0.921	62%	0.624	S	S	*	*			trans	-135.5	59.7	-168.1	-69.8	174.6	0	0	0	114
415	A	35.5	Very low	36.4	Very low	79 Å²	79	122.5 Å²	122.5	65%	0.653	62%	0.621	S	S	*	*			trans	-120.8	168.8	163.4	0	0	0	0	0	111.3
416	R	31.6	Very low	36.9	Very low	236 Å²	236	118.7 Å²	118.7	89%	0.891	60%	0.601	S	S	*	*			trans	-101	143.6	-158.4	-79.9	174.8	167.4	173.1	-3.6	114.9
417	L	31.1	Very low	38	Very low	143 Å²	143	115.7 Å²	115.7	75%	0.749	59%	0.59	S	S	*	*			trans	73.3	117.9	148.1	-67.7	158.7	0	0	0	120.2
418	F	29.1	Very low	38.9	Very low	175 Å²	175	116.4 Å²	116.4	77%	0.768	60%	0.598	S	S	*	*			trans	71.3	114	145.4	-84.4	-117.1	0	0	0	121
419	W	27.7	Very low	40.1	Very low	163 Å²	163	113.5 Å²	113.5	62%	0.617	57%	0.568	S	S	*	*			trans	86.7	129.5	146.8	-80	64	0	0	0	122.1	Q126	Q126-W419 VanDerWaalsContact OE1-CH2 3.26Å
420	L	28.5	Very low	41.1	Very low	130 Å²	130	111.8 Å²	111.8	68%	0.681	56%	0.562	S	S	*	*			trans	8.3	117.1	162.7	-57.2	179	0	0	0	120.3
421	L	30.8	Very low	41.9	Very low	165 Å²	165	110.7 Å²	110.7	86%	0.864	56%	0.555	S	S	*	*				-173.9	177.2	101.1	-102.4	136.7	0	0	0	110.3
422	Q	33.1	Very low	42.7	Very low	145 Å²	145	106.4 Å²	106.4	68%	0.678	53%	0.529	S	S	*	.			trans	-81.6	119.1	-161.8	-70.4	168.3	-40.1	0	0	114.3	F424	Q422-F424 HydrophobicContact CB-CD2 4.33Å; Q422-F424 HydrophobicContact CG-CD2 4.41Å; Q422-F424 HydrophobicContact CG-CE2 4.47Å
423	C	34.6	Very low	43.9	Very low	74 Å²	74	109.2 Å²	109.2	50%	0.5	54%	0.541	S	S	.	.			trans	-122.6	91.6	161	-80.7	0	0	0	0	109.1
424	F	41	Very low	44.8	Very low	168 Å²	168	112 Å²	112	74%	0.737	54%	0.54	S	S	*	.			trans	-113.8	111	178.6	-84.7	-80.7	0	0	0	111.8	Q422	Q422-F424 HydrophobicContact CB-CD2 4.33Å; Q422-F424 HydrophobicContact CG-CD2 4.41Å; Q422-F424 HydrophobicContact CG-CE2 4.47Å
425	L	48.9	Very low	45.9	Very low	36 Å²	36	104.7 Å²	104.7	19%	0.188	50%	0.503	C	S	.	.			trans	-81.6	122.5	153.8	-68.6	168.3	0	0	0	107.7	I399 T427 Q430	I399-L425 HydrophobicContact CG2-CD1 3.61Å; L425-T427 PolarHBondContact O-N 2.7Å; L425-Q430 HydrophobicContact CB-CB 4.37Å; L425-Q430 HydrophobicContact CD2-CB 4.36Å
426	K	50.7	Low	47.3	Very low	117 Å²	117	103.2 Å²	103.2	51%	0.509	48%	0.484	S	S	.	.			trans	-79.3	-10.9	-167.8	-80.3	-169.7	166.8	-171.3	0	114.9	V378 S380 Q430	V378-K426 PolarHBondContact O-NZ 3.43Å; V378-K426 VanDerWaalsContact O-NZ 3.16Å; S380-K426 PolarHBondContact OG-NZ 2.84Å; K426-Q430 VanDerWaalsContact N-OE1 3.09Å
427	T	58.2	Low	48.9	Very low	64 Å²	64	100.2 Å²	100.2	39%	0.393	48%	0.48	S	S	.	.	S	Bend	trans	-136.1	148	179.7	67.8	0	0	0	0	113.6	L425 L429 Q430 C431	L425-T427 PolarHBondContact O-N 2.7Å; T427-L429 PolarHBondContact O-N 3.23Å; T427-Q430 PolarHBondContact O-N 3.29Å; T427-Q430 WeakPolarHBondContact OG1-CB 3.37Å; T427-Q430 VanDerWaalsContact OG1-CG 3.28Å; T427-Q430 WeakPolarHBondContact OG1-CG 3.32Å; T427-Q430 PolarHBondContact OG1-N 2.75Å; T427-Q430 VanDerWaalsContact OG1-N 3.15Å; T427-Q430 PolarHBondContact OG1-OE1 3.43Å; T427-C431 PolarHBondContact O-N 3.38Å
428	N	57.1	Low	50.2	Low	72 Å²	72	95.1 Å²	95.1	39%	0.385	46%	0.462	S	S	.	.	H	α-helix	trans	-54.9	-35.1	172.6	-69.1	-20.2	0	0	0	111.9	C431 A432	N428-C431 PolarHBondContact O-N 2.79Å; N428-A432 WeakPolarHBondContact O-CB 3.37Å; N428-A432 PolarHBondContact O-N 3.19Å
429	L	63.7	Low	51.6	Low	43 Å²	43	95.9 Å²	95.9	23%	0.225	47%	0.465	C	S	.	.	H	α-helix	trans	-65.7	-40.2	176.4	-173.6	65.9	0	0	0	112.7	T427 A432 K433 L457 L466 L468	T427-L429 PolarHBondContact O-N 3.23Å; L429-A432 PolarHBondContact O-N 2.86Å; L429-K433 HydrophobicContact CG-CD 4.4Å; L429-K433 WeakPolarHBondContact O-CB 3.09Å; L429-K433 VanDerWaalsContact O-CG 3.31Å; L429-K433 WeakPolarHBondContact O-CG 3.27Å; L429-K433 PolarHBondContact O-N 2.84Å; L429-L457 HydrophobicContact CD1-CD1 4.18Å; L429-L466 HydrophobicContact CB-CD2 4.5Å; L429-L468 HydrophobicContact CD1-CD2 3.78Å; L429-L468 HydrophobicContact CD1-CG 4.39Å
430	Q	61.1	Low	52.7	Low	89 Å²	89	91.2 Å²	91.2	42%	0.416	45%	0.452	S	S	.	.	H	α-helix	trans	-65.3	-42.3	176.4	-79	168.6	-20.5	0	0	112.1	L425 K426 T427 R434	L425-Q430 HydrophobicContact CB-CB 4.37Å; L425-Q430 HydrophobicContact CD2-CB 4.36Å; K426-Q430 VanDerWaalsContact N-OE1 3.09Å; T427-Q430 PolarHBondContact O-N 3.29Å; T427-Q430 WeakPolarHBondContact OG1-CB 3.37Å; T427-Q430 VanDerWaalsContact OG1-CG 3.28Å; T427-Q430 WeakPolarHBondContact OG1-CG 3.32Å; T427-Q430 PolarHBondContact OG1-N 2.75Å; T427-Q430 VanDerWaalsContact OG1-N 3.15Å; T427-Q430 PolarHBondContact OG1-OE1 3.43Å; Q430-R434 PolarHBondContact O-N 3.27Å
431	C	59	Low	53.8	Low	5 Å²	5	85.7 Å²	85.7	3%	0.034	42%	0.423	C	S	.	.	H	α-helix	trans	-61.4	-47.5	173.1	-88.8	0	0	0	0	112.1	C401 L404 T427 N428 K433 R434 C435	C401-C431 WeakPolarHBondContact CA-SG 3.35Å; C401-C431 HydrophobicContact CB-CB 3.95Å; C401-C431 WeakPolarHBondContact CB-SG 3.33Å; C401-C431 WeakPolarHBondContact SG-CB 3.25Å; C401-C431 CovalentContact SG-SG 2.03Å; C401-C431 PolarHBondContact SG-SG 2.81Å; L404-C431 HydrophobicContact CD1-CB 4.15Å; T427-C431 PolarHBondContact O-N 3.38Å; N428-C431 PolarHBondContact O-N 2.79Å; C431-K433 PolarHBondContact O-N 2.89Å; C431-R434 PolarHBondContact O-N 3.03Å; C431-C435 PolarHBondContact O-N 3.02Å
432	A	61	Low	55.1	Low	7 Å²	7	79.1 Å²	79.1	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-63	-43.6	179.5	0	0	0	0	0	111.6	N428 L429 R434 C435 L436 F441 L457 L468	N428-A432 WeakPolarHBondContact O-CB 3.37Å; N428-A432 PolarHBondContact O-N 3.19Å; L429-A432 PolarHBondContact O-N 2.86Å; A432-R434 PolarHBondContact O-N 3.41Å; A432-C435 PolarHBondContact O-N 3.05Å; A432-L436 VanDerWaalsContact O-CB 3.32Å; A432-L436 WeakPolarHBondContact O-CB 3.5Å; A432-L436 PolarHBondContact O-N 3.26Å; A432-F441 HydrophobicContact CB-CE2 4.04Å; A432-L457 HydrophobicContact CB-CD1 4Å; A432-L457 HydrophobicContact CB-CD2 3.79Å; A432-L468 HydrophobicContact CB-CD1 3.6Å; A432-L468 HydrophobicContact CB-CD2 4.23Å; A432-L468 HydrophobicContact CB-CG 4.02Å
433	K	66.1	Low	56.3	Low	123 Å²	123	72.4 Å²	72.4	54%	0.535	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-39.9	173.4	-76.1	-176.5	177.2	-172.1	0	113	L429 C431 L436 H437 L468	L429-K433 HydrophobicContact CG-CD 4.4Å; L429-K433 WeakPolarHBondContact O-CB 3.09Å; L429-K433 VanDerWaalsContact O-CG 3.31Å; L429-K433 WeakPolarHBondContact O-CG 3.27Å; L429-K433 PolarHBondContact O-N 2.84Å; C431-K433 PolarHBondContact O-N 2.89Å; K433-L436 PolarHBondContact O-N 3.4Å; K433-H437 PolarHBondContact O-N 2.88Å; K433-L468 HydrophobicContact CG-CD2 3.57Å
434	R	58.7	Low	57.3	Low	142 Å²	142	73.1 Å²	73.1	54%	0.536	36%	0.356	S	S	.	.	H	α-helix	trans	-71	-43.5	178.4	-93.9	179.7	164	-159.4	0.8	113.1	Q430 C431 A432 L436 H437 G438	Q430-R434 PolarHBondContact O-N 3.27Å; C431-R434 PolarHBondContact O-N 3.03Å; A432-R434 PolarHBondContact O-N 3.41Å; R434-L436 VanDerWaalsContact C-N 3.26Å; R434-L436 PolarHBondContact O-N 3.33Å; R434-H437 PolarHBondContact O-N 2.85Å; R434-G438 PolarHBondContact O-N 3.47Å
435	C	57.4	Low	57.9	Low	22 Å²	22	66.9 Å²	66.9	15%	0.149	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-35.4	172.9	-72.2	0	0	0	0	111.2	C410 C431 A432 G438 K439 N440 F441	C410-C435 HydrophobicContact CB-CB 4.18Å; C410-C435 WeakPolarHBondContact CB-SG 3.03Å; C410-C435 WeakPolarHBondContact SG-CB 3.27Å; C410-C435 CovalentContact SG-SG 2.06Å; C410-C435 PolarHBondContact SG-SG 3.49Å; C431-C435 PolarHBondContact O-N 3.02Å; A432-C435 PolarHBondContact O-N 3.05Å; C435-G438 PolarHBondContact O-N 2.86Å; C435-K439 PolarHBondContact O-N 3.46Å; C435-N440 PolarHBondContact O-N 2.94Å; C435-F441 HydrophobicContact CB-CB 3.97Å; C435-F441 HydrophobicContact CB-CD2 3.96Å; C435-F441 HydrophobicContact CB-CG 4.46Å; C435-F441 PolarHBondContact O-N 3.09Å; C435-F441 VanDerWaalsContact O-N 3.16Å
436	L	64.7	Low	58	Low	49 Å²	49	70.2 Å²	70.2	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-47.4	177	-174.3	70.9	0	0	0	110.9	A432 K433 R434 G438 K439 F441 L468 V471	A432-L436 VanDerWaalsContact O-CB 3.32Å; A432-L436 WeakPolarHBondContact O-CB 3.5Å; A432-L436 PolarHBondContact O-N 3.26Å; K433-L436 PolarHBondContact O-N 3.4Å; R434-L436 VanDerWaalsContact C-N 3.26Å; R434-L436 PolarHBondContact O-N 3.33Å; L436-G438 PolarHBondContact O-N 2.92Å; L436-K439 PolarHBondContact O-N 2.91Å; L436-K439 VanDerWaalsContact O-N 3.13Å; L436-F441 HydrophobicContact CB-CB 4.26Å; L436-F441 HydrophobicContact CB-CG 4.43Å; L436-F441 HydrophobicContact CD1-CB 4.38Å; L436-F441 HydrophobicContact CD1-CD1 3.91Å; L436-F441 HydrophobicContact CD1-CG 4.43Å; L436-L468 HydrophobicContact CD2-CD1 4.48Å; L436-V471 HydrophobicContact CD1-CG1 4.4Å; L436-V471 HydrophobicContact CD1-CG2 4.3Å; L436-V471 HydrophobicContact CD2-CG2 4.32Å
437	H	64.8	Low	58.6	Low	173 Å²	173	67.2 Å²	67.2	80%	0.801	34%	0.34	S	S	*	.	H	α-helix	trans	-60.3	-33.8	174.1	-168.3	-84.9	0	0	0	112.8	K433 R434 K439	K433-H437 PolarHBondContact O-N 2.88Å; R434-H437 PolarHBondContact O-N 2.85Å; H437-K439 VanDerWaalsContact C-N 3.26Å; H437-K439 PolarHBondContact O-N 2.7Å
438	G	58.4	Low	59.1	Low	36 Å²	36	64.7 Å²	64.7	37%	0.371	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.9	176.9	0	0	0	0	0	115.7	R434 C435 L436 N440	R434-G438 PolarHBondContact O-N 3.47Å; C435-G438 PolarHBondContact O-N 2.86Å; L436-G438 PolarHBondContact O-N 2.92Å; G438-N440 PolarHBondContact O-N 2.8Å; G438-N440 PolarHBondContact O-ND2 2.03Å
439	K	58.1	Low	59.6	Low	191 Å²	191	64.4 Å²	64.4	83%	0.83	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	13.3	-173.7	-60.1	-173.7	178.7	-178.5	0	115.4	C435 L436 H437	C435-K439 PolarHBondContact O-N 3.46Å; L436-K439 PolarHBondContact O-N 2.91Å; L436-K439 VanDerWaalsContact O-N 3.13Å; H437-K439 VanDerWaalsContact C-N 3.26Å; H437-K439 PolarHBondContact O-N 2.7Å
440	N	51.8	Low	59.8	Low	65 Å²	65	68.8 Å²	68.8	35%	0.348	34%	0.336	S	S	.	.			trans	-114.2	18.3	-179.2	-69.6	-42.6	0	0	0	111.5	T411 C435 G438	T411-N440 PolarHBondContact OG1-ND2 3.02Å; C435-N440 PolarHBondContact O-N 2.94Å; G438-N440 PolarHBondContact O-N 2.8Å; G438-N440 PolarHBondContact O-ND2 2.03Å
441	F	51.1	Low	60.2	Low	14 Å²	14	72.8 Å²	72.8	6%	0.061	35%	0.352	C	S	.	.			trans	-82.2	137.1	167.5	-174.2	-108.9	0	0	0	110.3	A432 C435 L436 C443 C455 L457 L468 V471	A432-F441 HydrophobicContact CB-CE2 4.04Å; C435-F441 HydrophobicContact CB-CB 3.97Å; C435-F441 HydrophobicContact CB-CD2 3.96Å; C435-F441 HydrophobicContact CB-CG 4.46Å; C435-F441 PolarHBondContact O-N 3.09Å; C435-F441 VanDerWaalsContact O-N 3.16Å; L436-F441 HydrophobicContact CB-CB 4.26Å; L436-F441 HydrophobicContact CB-CG 4.43Å; L436-F441 HydrophobicContact CD1-CB 4.38Å; L436-F441 HydrophobicContact CD1-CD1 3.91Å; L436-F441 HydrophobicContact CD1-CG 4.43Å; F441-C443 HydrophobicContact CE1-CB 3.94Å; F441-C443 HydrophobicContact CZ-CB 4.28Å; F441-C455 HydrophobicContact CE1-CB 4.42Å; F441-L457 HydrophobicContact CZ-CD2 4.47Å; F441-L468 HydrophobicContact CD1-CD1 4.47Å; F441-L468 HydrophobicContact CE1-CD1 3.75Å; F441-L468 HydrophobicContact CE2-CD1 4.09Å; F441-L468 HydrophobicContact CZ-CD1 3.54Å; F441-V471 HydrophobicContact CE1-CG1 4.26Å
442	I	56.8	Low	60.9	Low	26 Å²	26	77.7 Å²	77.7	13%	0.133	37%	0.374	C	S	.	.			trans	-119.9	152.2	156.7	-67.2	179.8	0	0	0	105.2	Y407 K409 N444 D475 Y477	Y407-I442 WeakPolarHBondContact CE1-O 2.99Å; K409-I442 HydrophobicContact CB-CD1 4.34Å; K409-I442 HydrophobicContact CD-CD1 3.42Å; K409-I442 VanDerWaalsContact CD-CD1 3.42Å; I442-N444 HydrophobicContact CG2-CB 4.39Å; I442-D475 CarbonylContact C-O 3.33Å; I442-D475 WeakPolarHBondContact CA-O 3.36Å; I442-Y477 HydrophobicContact CD1-CD2 3.59Å; I442-Y477 HydrophobicContact CD1-CE2 4.09Å; I442-Y477 HydrophobicContact CD1-CG 4.34Å; I442-Y477 HydrophobicContact CG1-CD2 3.98Å; I442-Y477 HydrophobicContact CG2-CD2 4.23Å
443	C	59.8	Low	61.7	Low	4 Å²	4	82.9 Å²	82.9	3%	0.027	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-90.3	110.3	166.9	-175.9	0	0	0	0	109.9	F441 S447 C455 D475 Y476	F441-C443 HydrophobicContact CE1-CB 3.94Å; F441-C443 HydrophobicContact CZ-CB 4.28Å; C443-S447 PolarHBondContact SG-O 2.91Å; C443-C455 HydrophobicContact CB-CB 3.86Å; C443-C455 WeakPolarHBondContact CB-SG 3.44Å; C443-C455 WeakPolarHBondContact SG-CB 3.39Å; C443-C455 CovalentContact SG-SG 2.03Å; C443-C455 PolarHBondContact SG-SG 2.94Å; C443-D475 PolarHBondContact N-O 2.75Å; C443-Y476 HydrophobicContact CB-CD2 4.02Å
444	N	55.2	Low	62	Low	89 Å²	89	78.4 Å²	78.4	48%	0.476	38%	0.376	S	S	.	.			trans	-141.8	3.7	-166.4	-165	49.4	0	0	0	113.9	M406 Y407 I442	M406-N444 PolarHBondContact O-ND2 3.32Å; Y407-N444 HydrophobicContact CD1-CB 3.76Å; Y407-N444 HydrophobicContact CE1-CB 3.2Å; Y407-N444 VanDerWaalsContact CE1-N 3.31Å; Y407-N444 PolarHBondContact OH-N 3.12Å; I442-N444 HydrophobicContact CG2-CB 4.39Å
445	S	52.7	Low	62.5	Low	37 Å²	37	71.7 Å²	71.7	26%	0.259	35%	0.35	S	S	.	.	S	Bend	trans	-107.8	-17	-170.4	58.1	0	0	0	0	116.1	Y407 L457	Y407-S445 WeakPolarHBondContact OH-CB 3.35Å; Y407-S445 PolarHBondContact OH-N 3.07Å; Y407-S445 PolarHBondContact OH-OG 2.67Å; S445-L457 WeakPolarHBondContact CB-O 3.47Å; S445-L457 PolarHBondContact OG-O 3.03Å
446	F	52.1	Low	63	Low	106 Å²	106	72.2 Å²	72.2	47%	0.465	35%	0.352	S	S	.	.	S	Bend	trans	-153.6	-63.9	170.9	-166.5	-114.8	0	0	0	114.6	L456 S458 S459 A462	F446-L456 HydrophobicContact CB-CB 4.39Å; F446-L456 WeakPolarHBondContact CB-O 3.25Å; F446-L456 HydrophobicContact CD1-CB 3.9Å; F446-L456 HydrophobicContact CD1-CD1 4.2Å; F446-L456 HydrophobicContact CE1-CD1 4.46Å; F446-S458 VanDerWaalsContact CD1-O 3.26Å; F446-S458 WeakPolarHBondContact CD1-O 3.41Å; F446-S458 WeakPolarHBondContact CG-O 3.37Å; F446-S459 VanDerWaalsContact CE2-CA 3.43Å; F446-S459 VanDerWaalsContact CE2-CB 3.48Å; F446-A462 HydrophobicContact CE1-CB 4.18Å
447	S	63	Low	62.8	Low	54 Å²	54	70.6 Å²	70.6	38%	0.378	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	164.7	-176.5	-176.8	0	0	0	0	111.2	C443 L456	C443-S447 PolarHBondContact SG-O 2.91Å; S447-L456 PolarHBondContact O-N 3.36Å
448	Y	67.7	Low	62.2	Low	12 Å²	12	63.7 Å²	63.7	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.1	172.2	176.7	-97.7	0	0	0	109.8	Y450 V454 C455 V471 Y476	Y448-Y450 AromaticContact CD1-CD1 3.92Å; Y448-Y450 HydrophobicContact CD1-CD1 3.92Å; Y448-Y450 HydrophobicContact CD1-CD2 4.22Å; Y448-Y450 HydrophobicContact CD1-CE1 4.21Å; Y448-Y450 AromaticContact CD1-CG 3.96Å; Y448-Y450 HydrophobicContact CD1-CG 3.96Å; Y448-Y450 AromaticContact CE1-CD1 3.69Å; Y448-Y450 HydrophobicContact CE1-CD1 3.69Å; Y448-Y450 HydrophobicContact CE1-CE1 4.21Å; Y448-Y450 HydrophobicContact CE1-CG 4.01Å; Y448-Y450 PolarHBondContact O-N 3.09Å; Y448-V454 CarbonylContact C-O 3.58Å; Y448-V454 WeakPolarHBondContact CA-O 3.49Å; Y448-C455 HydrophobicContact CD2-CB 4.27Å; Y448-V471 HydrophobicContact CE2-CB 4.08Å; Y448-V471 HydrophobicContact CE2-CG1 4.13Å; Y448-V471 PolarHBondContact OH-O 3.24Å; Y448-V471 VanDerWaalsContact OH-O 3.11Å; Y448-Y476 VanDerWaalsContact CB-CE2 3.4Å; Y448-Y476 HydrophobicContact CD1-CD1 4.22Å; Y448-Y476 HydrophobicContact CD1-CD2 4.4Å; Y448-Y476 HydrophobicContact CD1-CG 4.06Å; Y448-Y476 HydrophobicContact CD2-CD2 4.5Å; Y448-Y476 HydrophobicContact CG-CD1 4.47Å; Y448-Y476 AromaticContact CG-CD2 3.86Å; Y448-Y476 HydrophobicContact CG-CD2 3.86Å; Y448-Y476 HydrophobicContact CG-CE2 4.36Å; Y448-Y476 AromaticContact CG-CG 3.9Å; Y448-Y476 HydrophobicContact CG-CG 3.9Å
449	D	69.1	Low	61.8	Low	65 Å²	65	66 Å²	66	35%	0.348	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	107.3	172.1	-166	-44.7	0	0	0	109.4	K451 E452 R453 V454	D449-K451 VanDerWaalsContact C-N 3.27Å; D449-K451 PolarHBondContact O-N 3.02Å; D449-K451 WeakPolarHBondContact OD1-CA 3.31Å; D449-K451 WeakPolarHBondContact OD1-CB 3.42Å; D449-K451 PolarHBondContact OD1-N 2.8Å; D449-E452 HydrophobicContact CB-CB 4.36Å; D449-E452 PolarHBondContact OD1-N 2.92Å; D449-R453 VanDerWaalsContact O-CA 3.28Å; D449-R453 WeakPolarHBondContact O-CA 3.32Å; D449-R453 PolarHBondContact O-N 3.3Å; D449-V454 HydrophobicContact CB-CB 4.09Å; D449-V454 PolarHBondContact N-O 3.37Å; D449-V454 PolarHBondContact O-N 3.22Å; D449-V454 VanDerWaalsContact O-N 3.13Å
450	Y	66.9	Low	61.3	Low	135 Å²	135	60.5 Å²	60.5	53%	0.529	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-25.2	178.1	-77.8	-80.5	0	0	0	114.1	Y448 Y476 E478	Y448-Y450 AromaticContact CD1-CD1 3.92Å; Y448-Y450 HydrophobicContact CD1-CD1 3.92Å; Y448-Y450 HydrophobicContact CD1-CD2 4.22Å; Y448-Y450 HydrophobicContact CD1-CE1 4.21Å; Y448-Y450 AromaticContact CD1-CG 3.96Å; Y448-Y450 HydrophobicContact CD1-CG 3.96Å; Y448-Y450 AromaticContact CE1-CD1 3.69Å; Y448-Y450 HydrophobicContact CE1-CD1 3.69Å; Y448-Y450 HydrophobicContact CE1-CE1 4.21Å; Y448-Y450 HydrophobicContact CE1-CG 4.01Å; Y448-Y450 PolarHBondContact O-N 3.09Å; Y450-Y476 HydrophobicContact CE1-CD1 4.35Å; Y450-Y476 HydrophobicContact CE1-CE1 4.43Å; Y450-Y476 HydrophobicContact CE2-CE1 4.1Å; Y450-Y476 AromaticContact CZ-CE1 3.67Å; Y450-Y476 VanDerWaalsContact OH-CE1 3.25Å; Y450-Y476 WeakPolarHBondContact OH-CE1 3.47Å; Y450-E478 PolarHBondContact OH-OE2 2.91Å
451	K	70.9	Confident	61.4	Low	173 Å²	173	57.7 Å²	57.7	75%	0.752	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-44.3	-176.9	-173.8	-170.2	170.2	-146.6	0	110.7	D449	D449-K451 VanDerWaalsContact C-N 3.27Å; D449-K451 PolarHBondContact O-N 3.02Å; D449-K451 WeakPolarHBondContact OD1-CA 3.31Å; D449-K451 WeakPolarHBondContact OD1-CB 3.42Å; D449-K451 PolarHBondContact OD1-N 2.8Å
452	E	72.8	Confident	61.1	Low	108 Å²	108	59.9 Å²	59.9	51%	0.505	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.4	-176.8	-51.5	-57.2	146.5	0	0	113	D449 V454	D449-E452 HydrophobicContact CB-CB 4.36Å; D449-E452 PolarHBondContact OD1-N 2.92Å; E452-V454 HydrophobicContact CB-CB 4.43Å; E452-V454 HydrophobicContact CB-CG2 3.84Å; E452-V454 WeakPolarHBondContact O-CG2 3.32Å
453	R	78	Confident	60.5	Low	116 Å²	116	68.4 Å²	68.4	44%	0.438	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	42.5	-174.1	-58.2	177.8	58.3	-178.9	-9.6	113.4	D449 S469 D470 V471	D449-R453 VanDerWaalsContact O-CA 3.28Å; D449-R453 WeakPolarHBondContact O-CA 3.32Å; D449-R453 PolarHBondContact O-N 3.3Å; R453-S469 CarbonylContact O-C 3.52Å; R453-D470 PolarHBondContact NH2-O 3.04Å; R453-D470 VanDerWaalsContact NH2-O 3.09Å; R453-D470 PolarHBondContact O-N 2.67Å; R453-D470 VanDerWaalsContact O-N 3.15Å; R453-V471 PolarHBondContact O-N 2.91Å
454	V	72.6	Confident	60.1	Low	30 Å²	30	71.2 Å²	71.2	18%	0.182	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.7	-170	173.9	0	0	0	0	112	Y448 D449 E452 L456 A467 L468	Y448-V454 CarbonylContact C-O 3.58Å; Y448-V454 WeakPolarHBondContact CA-O 3.49Å; D449-V454 HydrophobicContact CB-CB 4.09Å; D449-V454 PolarHBondContact N-O 3.37Å; D449-V454 PolarHBondContact O-N 3.22Å; D449-V454 VanDerWaalsContact O-N 3.13Å; E452-V454 HydrophobicContact CB-CB 4.43Å; E452-V454 HydrophobicContact CB-CG2 3.84Å; E452-V454 WeakPolarHBondContact O-CG2 3.32Å; V454-L456 HydrophobicContact CG1-CD2 4.17Å; V454-A467 HydrophobicContact CG1-CB 3.26Å; V454-L468 CarbonylContact C-O 3.6Å; V454-L468 VanDerWaalsContact CA-O 3.27Å; V454-L468 WeakPolarHBondContact CA-O 3.47Å
455	C	68.9	Low	60	Low	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.9	168	178.3	0	0	0	0	110.8	F441 C443 Y448 A467 L468 V471	F441-C455 HydrophobicContact CE1-CB 4.42Å; C443-C455 HydrophobicContact CB-CB 3.86Å; C443-C455 WeakPolarHBondContact CB-SG 3.44Å; C443-C455 WeakPolarHBondContact SG-CB 3.39Å; C443-C455 CovalentContact SG-SG 2.03Å; C443-C455 PolarHBondContact SG-SG 2.94Å; Y448-C455 HydrophobicContact CD2-CB 4.27Å; C455-A467 WeakPolarHBondContact O-CA 3.3Å; C455-A467 WeakPolarHBondContact O-CB 3.27Å; C455-L468 HydrophobicContact CB-CB 4.27Å; C455-L468 PolarHBondContact N-O 3.47Å; C455-L468 PolarHBondContact O-N 2.92Å; C455-V471 HydrophobicContact CB-CB 4.49Å; C455-V471 HydrophobicContact CB-CG2 4.07Å
456	L	67.2	Low	60.1	Low	34 Å²	34	72.4 Å²	72.4	18%	0.178	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.8	174.7	-62.8	176.5	0	0	0	109.7	F446 S447 V454 A462 A467	F446-L456 HydrophobicContact CB-CB 4.39Å; F446-L456 WeakPolarHBondContact CB-O 3.25Å; F446-L456 HydrophobicContact CD1-CB 3.9Å; F446-L456 HydrophobicContact CD1-CD1 4.2Å; F446-L456 HydrophobicContact CE1-CD1 4.46Å; S447-L456 PolarHBondContact O-N 3.36Å; V454-L456 HydrophobicContact CG1-CD2 4.17Å; L456-A462 HydrophobicContact CD1-CB 4.35Å; L456-A467 HydrophobicContact CD2-CB 3.86Å
457	L	60.5	Low	60.7	Low	14 Å²	14	68.5 Å²	68.5	7%	0.073	38%	0.379	C	S	.	.			trans	-85.7	-23.6	-170.7	-58.6	176.9	0	0	0	113.9	L429 A432 F441 S445 S461 L468	L429-L457 HydrophobicContact CD1-CD1 4.18Å; A432-L457 HydrophobicContact CB-CD1 4Å; A432-L457 HydrophobicContact CB-CD2 3.79Å; F441-L457 HydrophobicContact CZ-CD2 4.47Å; S445-L457 WeakPolarHBondContact CB-O 3.47Å; S445-L457 PolarHBondContact OG-O 3.03Å; L457-S461 PolarHBondContact N-OG 2.97Å; L457-L468 HydrophobicContact CD2-CD1 4.39Å; L457-L468 HydrophobicContact CD2-CG 4.39Å
458	S	53.6	Low	61	Low	29 Å²	29	66.1 Å²	66.1	20%	0.203	36%	0.363	C	S	.	.	S	Bend	trans	-157.3	173.3	177.1	67.2	0	0	0	0	112	F446 S460 S461	F446-S458 VanDerWaalsContact CD1-O 3.26Å; F446-S458 WeakPolarHBondContact CD1-O 3.41Å; F446-S458 WeakPolarHBondContact CG-O 3.37Å; S458-S460 PolarHBondContact O-N 3.37Å; S458-S460 PolarHBondContact OG-N 2.91Å; S458-S460 PolarHBondContact OG-OG 3.18Å; S458-S461 PolarHBondContact N-OG 3.22Å; S458-S461 VanDerWaalsContact O-CB 3.26Å; S458-S461 WeakPolarHBondContact O-CB 3.47Å; S458-S461 PolarHBondContact O-N 3.18Å; S458-S461 PolarHBondContact OG-N 3.49Å; S458-S461 PolarHBondContact OG-OG 3.13Å
459	S	49.7	Very low	61.2	Low	84 Å²	84	69.3 Å²	69.3	59%	0.587	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.4	169.8	53.6	0	0	0	0	113.1	F446	F446-S459 VanDerWaalsContact CE2-CA 3.43Å; F446-S459 VanDerWaalsContact CE2-CB 3.48Å
460	S	47.3	Very low	61.3	Low	76 Å²	76	71.7 Å²	71.7	53%	0.531	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.5	171.2	36.4	0	0	0	0	113.2	S458 A462 K463 S464	S458-S460 PolarHBondContact O-N 3.37Å; S458-S460 PolarHBondContact OG-N 2.91Å; S458-S460 PolarHBondContact OG-OG 3.18Å; S460-A462 VanDerWaalsContact C-N 3.28Å; S460-A462 PolarHBondContact O-N 3.13Å; S460-K463 PolarHBondContact O-N 3.15Å; S460-S464 PolarHBondContact O-N 2.87Å; S460-S464 PolarHBondContact O-OG 2.81Å
461	S	53.6	Low	61.3	Low	5 Å²	5	65.3 Å²	65.3	4%	0.035	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-60.5	-34.6	176.7	-68.7	0	0	0	0	113.4	L457 S458 K463 S464 G465 L466	L457-S461 PolarHBondContact N-OG 2.97Å; S458-S461 PolarHBondContact N-OG 3.22Å; S458-S461 VanDerWaalsContact O-CB 3.26Å; S458-S461 WeakPolarHBondContact O-CB 3.47Å; S458-S461 PolarHBondContact O-N 3.18Å; S458-S461 PolarHBondContact OG-N 3.49Å; S458-S461 PolarHBondContact OG-OG 3.13Å; S461-K463 PolarHBondContact O-N 3.32Å; S461-S464 WeakPolarHBondContact CA-OG 3.42Å; S461-S464 PolarHBondContact O-N 2.72Å; S461-G465 PolarHBondContact O-N 3.01Å; S461-L466 WeakPolarHBondContact CB-O 3.4Å; S461-L466 PolarHBondContact OG-O 3.4Å
462	A	45.2	Very low	61	Low	60 Å²	60	59 Å²	59	50%	0.496	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-63	-11.5	179.1	0	0	0	0	0	114.1	F446 L456 S460	F446-A462 HydrophobicContact CE1-CB 4.18Å; L456-A462 HydrophobicContact CD1-CB 4.35Å; S460-A462 VanDerWaalsContact C-N 3.28Å; S460-A462 PolarHBondContact O-N 3.13Å
463	K	44.7	Very low	60.3	Low	205 Å²	205	56.8 Å²	56.8	89%	0.891	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-120.3	-2.6	178	-63.9	-174.7	178.5	-178.9	0	114.4	S460 S461	S460-K463 PolarHBondContact O-N 3.15Å; S461-K463 PolarHBondContact O-N 3.32Å
464	S	50.1	Low	59.2	Low	63 Å²	63	54.8 Å²	54.8	44%	0.441	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.9	4.4	-166.7	56.6	0	0	0	0	115	S460 S461 L466	S460-S464 PolarHBondContact O-N 2.87Å; S460-S464 PolarHBondContact O-OG 2.81Å; S461-S464 WeakPolarHBondContact CA-OG 3.42Å; S461-S464 PolarHBondContact O-N 2.72Å; S464-L466 PolarHBondContact O-N 3.24Å; S464-L466 VanDerWaalsContact O-N 3.16Å
465	G	53.6	Low	58.2	Low	72 Å²	72	55.6 Å²	55.6	74%	0.742	36%	0.355	S	S	*	.			trans	69.5	6.1	-179.7	0	0	0	0	0	114.8	S461 A467	S461-G465 PolarHBondContact O-N 3.01Å; G465-A467 PolarHBondContact O-N 2.98Å
466	L	55.9	Low	57.1	Low	80 Å²	80	57.9 Å²	57.9	42%	0.419	36%	0.364	S	S	.	.			trans	-78.3	64.8	178.9	-78.7	166.6	0	0	0	111.8	L429 S461 S464	L429-L466 HydrophobicContact CB-CD2 4.5Å; S461-L466 WeakPolarHBondContact CB-O 3.4Å; S461-L466 PolarHBondContact OG-O 3.4Å; S464-L466 PolarHBondContact O-N 3.24Å; S464-L466 VanDerWaalsContact O-N 3.16Å
467	A	63.3	Low	55.9	Low	23 Å²	23	63.4 Å²	63.4	19%	0.19	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.2	-177.6	0	0	0	0	0	111.4	V454 C455 L456 G465	V454-A467 HydrophobicContact CG1-CB 3.26Å; C455-A467 WeakPolarHBondContact O-CA 3.3Å; C455-A467 WeakPolarHBondContact O-CB 3.27Å; L456-A467 HydrophobicContact CD2-CB 3.86Å; G465-A467 PolarHBondContact O-N 2.98Å
468	L	68.8	Low	54.8	Low	5 Å²	5	66.5 Å²	66.5	3%	0.026	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.8	170.8	-71.4	174.2	0	0	0	109.3	L429 A432 K433 L436 F441 V454 C455 L457 V471	L429-L468 HydrophobicContact CD1-CD2 3.78Å; L429-L468 HydrophobicContact CD1-CG 4.39Å; A432-L468 HydrophobicContact CB-CD1 3.6Å; A432-L468 HydrophobicContact CB-CD2 4.23Å; A432-L468 HydrophobicContact CB-CG 4.02Å; K433-L468 HydrophobicContact CG-CD2 3.57Å; L436-L468 HydrophobicContact CD2-CD1 4.48Å; F441-L468 HydrophobicContact CD1-CD1 4.47Å; F441-L468 HydrophobicContact CE1-CD1 3.75Å; F441-L468 HydrophobicContact CE2-CD1 4.09Å; F441-L468 HydrophobicContact CZ-CD1 3.54Å; V454-L468 CarbonylContact C-O 3.6Å; V454-L468 VanDerWaalsContact CA-O 3.27Å; V454-L468 WeakPolarHBondContact CA-O 3.47Å; C455-L468 HydrophobicContact CB-CB 4.27Å; C455-L468 PolarHBondContact N-O 3.47Å; C455-L468 PolarHBondContact O-N 2.92Å; L457-L468 HydrophobicContact CD2-CD1 4.39Å; L457-L468 HydrophobicContact CD2-CG 4.39Å; L468-V471 HydrophobicContact CB-CG2 3.43Å; L468-V471 VanDerWaalsContact CB-CG2 3.43Å; L468-V471 HydrophobicContact CD1-CG2 4.04Å; L468-V471 HydrophobicContact CG-CG2 4.4Å
469	S	72	Confident	53.7	Low	79 Å²	79	73.8 Å²	73.8	55%	0.552	42%	0.421	S	S	*	.	S	Bend	trans	-77.9	164.6	167.1	58	0	0	0	0	111.9	R453 V471	R453-S469 CarbonylContact O-C 3.52Å; S469-V471 PolarHBondContact O-N 3.27Å
470	D	71.8	Confident	52.8	Low	115 Å²	115	72.1 Å²	72.1	62%	0.615	41%	0.407	S	S	*	.	S	Bend	trans	58.8	8.3	176.6	-71.8	-54.5	0	0	0	117	R453 S472	R453-D470 PolarHBondContact NH2-O 3.04Å; R453-D470 VanDerWaalsContact NH2-O 3.09Å; R453-D470 PolarHBondContact O-N 2.67Å; R453-D470 VanDerWaalsContact O-N 3.15Å; D470-S472 PolarHBondContact O-N 2.96Å
471	V	66.7	Low	52	Low	1 Å²	1	75 Å²	75	1%	0.006	41%	0.407	C	S	.	.			trans	-56.4	133.9	173.8	179.2	0	0	0	0	108.9	L436 F441 Y448 R453 C455 L468 S469 D475	L436-V471 HydrophobicContact CD1-CG1 4.4Å; L436-V471 HydrophobicContact CD1-CG2 4.3Å; L436-V471 HydrophobicContact CD2-CG2 4.32Å; F441-V471 HydrophobicContact CE1-CG1 4.26Å; Y448-V471 HydrophobicContact CE2-CB 4.08Å; Y448-V471 HydrophobicContact CE2-CG1 4.13Å; Y448-V471 PolarHBondContact OH-O 3.24Å; Y448-V471 VanDerWaalsContact OH-O 3.11Å; R453-V471 PolarHBondContact O-N 2.91Å; C455-V471 HydrophobicContact CB-CB 4.49Å; C455-V471 HydrophobicContact CB-CG2 4.07Å; L468-V471 HydrophobicContact CB-CG2 3.43Å; L468-V471 VanDerWaalsContact CB-CG2 3.43Å; L468-V471 HydrophobicContact CD1-CG2 4.04Å; L468-V471 HydrophobicContact CG-CG2 4.4Å; S469-V471 PolarHBondContact O-N 3.27Å; V471-D475 HydrophobicContact CG1-CB 4.03Å
472	S	65.8	Low	50.9	Low	40 Å²	40	80.9 Å²	80.9	28%	0.28	45%	0.445	S	S	.	.			trans	-74.4	146.1	178	179.2	0	0	0	0	109.9	D470 S474 D475	D470-S472 PolarHBondContact O-N 2.96Å; S472-S474 VanDerWaalsContact CB-OG 3.22Å; S472-S474 WeakPolarHBondContact CB-OG 3.46Å; S472-S474 PolarHBondContact O-N 3.24Å; S472-S474 VanDerWaalsContact O-N 3.14Å; S472-S474 PolarHBondContact OG-N 2.76Å; S472-S474 PolarHBondContact OG-OG 2.8Å; S472-D475 WeakPolarHBondContact CB-OD2 3.43Å; S472-D475 WeakPolarHBondContact O-CA 3.3Å; S472-D475 WeakPolarHBondContact O-CB 3.4Å; S472-D475 PolarHBondContact O-N 3.02Å
473	S	57	Low	50.2	Low	61 Å²	61	87.7 Å²	87.7	43%	0.427	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.5	170.4	56.8	0	0	0	0	113.3	D475	S473-D475 VanDerWaalsContact C-N 3.3Å
474	S	54.5	Low	49.5	Very low	74 Å²	74	81 Å²	81	52%	0.517	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-25.8	164.9	56.1	0	0	0	0	113.6	S472 Y476	S472-S474 VanDerWaalsContact CB-OG 3.22Å; S472-S474 WeakPolarHBondContact CB-OG 3.46Å; S472-S474 PolarHBondContact O-N 3.24Å; S472-S474 VanDerWaalsContact O-N 3.14Å; S472-S474 PolarHBondContact OG-N 2.76Å; S472-S474 PolarHBondContact OG-OG 2.8Å; S474-Y476 VanDerWaalsContact C-N 3.29Å
475	D	51.5	Low	48.5	Very low	47 Å²	47	83.2 Å²	83.2	25%	0.251	47%	0.468	S	S	.	.	S	Bend	trans	-97.7	7.7	-174.7	-42.7	-20.1	0	0	0	110	I442 C443 V471 S472 S473	I442-D475 CarbonylContact C-O 3.33Å; I442-D475 WeakPolarHBondContact CA-O 3.36Å; C443-D475 PolarHBondContact N-O 2.75Å; V471-D475 HydrophobicContact CG1-CB 4.03Å; S472-D475 WeakPolarHBondContact CB-OD2 3.43Å; S472-D475 WeakPolarHBondContact O-CA 3.3Å; S472-D475 WeakPolarHBondContact O-CB 3.4Å; S472-D475 PolarHBondContact O-N 3.02Å; S473-D475 VanDerWaalsContact C-N 3.3Å
476	Y	45.8	Very low	47.4	Very low	49 Å²	49	89.1 Å²	89.1	19%	0.192	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-110.8	119.3	168.9	174.4	-106.2	0	0	0	108.9	C443 Y448 Y450 S474 E478	C443-Y476 HydrophobicContact CB-CD2 4.02Å; Y448-Y476 VanDerWaalsContact CB-CE2 3.4Å; Y448-Y476 HydrophobicContact CD1-CD1 4.22Å; Y448-Y476 HydrophobicContact CD1-CD2 4.4Å; Y448-Y476 HydrophobicContact CD1-CG 4.06Å; Y448-Y476 HydrophobicContact CD2-CD2 4.5Å; Y448-Y476 HydrophobicContact CG-CD1 4.47Å; Y448-Y476 AromaticContact CG-CD2 3.86Å; Y448-Y476 HydrophobicContact CG-CD2 3.86Å; Y448-Y476 HydrophobicContact CG-CE2 4.36Å; Y448-Y476 AromaticContact CG-CG 3.9Å; Y448-Y476 HydrophobicContact CG-CG 3.9Å; Y450-Y476 HydrophobicContact CE1-CD1 4.35Å; Y450-Y476 HydrophobicContact CE1-CE1 4.43Å; Y450-Y476 HydrophobicContact CE2-CE1 4.1Å; Y450-Y476 AromaticContact CZ-CE1 3.67Å; Y450-Y476 VanDerWaalsContact OH-CE1 3.25Å; Y450-Y476 WeakPolarHBondContact OH-CE1 3.47Å; S474-Y476 VanDerWaalsContact C-N 3.29Å; Y476-E478 HydrophobicContact CD1-CB 4.44Å; Y476-E478 HydrophobicContact CE1-CB 3.63Å; Y476-E478 HydrophobicContact CE1-CG 4.04Å
477	Y	42.6	Very low	46.3	Very low	149 Å²	149	94.1 Å²	94.1	58%	0.584	50%	0.498	S	S	*	.			trans	-106.5	93	171.1	-90.9	-89.3	0	0	0	109.6	I442	I442-Y477 HydrophobicContact CD1-CD2 3.59Å; I442-Y477 HydrophobicContact CD1-CE2 4.09Å; I442-Y477 HydrophobicContact CD1-CG 4.34Å; I442-Y477 HydrophobicContact CG1-CD2 3.98Å; I442-Y477 HydrophobicContact CG2-CD2 4.23Å
478	E	37	Very low	44.9	Very low	79 Å²	79	101.7 Å²	101.7	37%	0.369	53%	0.526	S	S	.	.			trans	-61.8	147.8	152.6	-140.7	176	124.8	0	0	108.6	Y450 Y476 T480 K492	Y450-E478 PolarHBondContact OH-OE2 2.91Å; Y476-E478 HydrophobicContact CD1-CB 4.44Å; Y476-E478 HydrophobicContact CE1-CB 3.63Å; Y476-E478 HydrophobicContact CE1-CG 4.04Å; E478-T480 PolarHBondContact O-N 2.95Å; E478-K492 IonicContact OE1-NZ 2.92Å
479	R	31.5	Very low	43.8	Very low	183 Å²	183	107 Å²	107	69%	0.691	56%	0.559	S	S	*	*	S	Bend	trans	-70.8	66.3	161.8	-84	-167.5	178.2	-169.2	0.5	109.9
480	T	30.7	Very low	43.2	Very low	49 Å²	49	106.2 Å²	106.2	30%	0.301	55%	0.551	S	S	.	*	S	Bend	trans	-174.5	126.6	150.3	31.9	0	0	0	0	115.8	E478 K492	E478-T480 PolarHBondContact O-N 2.95Å; T480-K492 HydrophobicContact CG2-CB 4.19Å; T480-K492 HydrophobicContact CG2-CD 3.54Å; T480-K492 HydrophobicContact CG2-CG 3.69Å; T480-K492 WeakPolarHBondContact OG1-CE 3.29Å; T480-K492 PolarHBondContact OG1-NZ 3.25Å
481	R	30.7	Very low	43.6	Very low	136 Å²	136	101.2 Å²	101.2	51%	0.513	52%	0.524	S	S	.	.			trans	71.4	131.1	149.4	-62.6	-172.6	-174.8	-152.8	2.3	120.4	F491	R481-F491 PolarHBondContact NH2-O 2.88Å
482	P	29.4	Very low	44.5	Very low	128 Å²	128	103.2 Å²	103.2	83%	0.831	53%	0.532	S	S	*	.			trans	-67.7	159.5	158.7	-13.1	28.8	0	0	0	112.4
483	K	29.9	Very low	45.6	Very low	203 Å²	203	102 Å²	102	88%	0.883	53%	0.525	S	S	*	.			trans	-68.4	136.4	178.4	-69.4	172.9	175.4	175.3	0	112.5
484	G	30.3	Very low	47.4	Very low	65 Å²	65	102.8 Å²	102.8	67%	0.67	52%	0.519	S	S	*	.			trans	173.1	110.9	168	0	0	0	0	0	111.4
485	S	29.8	Very low	49.1	Very low	110 Å²	110	100.1 Å²	100.1	77%	0.769	50%	0.498	S	S	*	.	S	Bend	trans	47.2	112.9	167	57.5	0	0	0	0	119.9
486	E	31.5	Very low	50.8	Low	195 Å²	195	99.4 Å²	99.4	91%	0.911	50%	0.496	S	S	*	.			trans	73.1	149.4	138.2	-61.4	-177.9	167.5	0	0	121.5
487	E	32.8	Very low	52.2	Low	186 Å²	186	101.1 Å²	101.1	87%	0.869	53%	0.528	S	S	*	.			trans	-71.2	122	-176.5	-62.9	169	109	0	0	112.6
488	K	33.2	Very low	53.1	Low	182 Å²	182	95.4 Å²	95.4	79%	0.791	51%	0.514	S	S	*	.	S	Bend	trans	178.2	134.9	135.7	-95.9	146.9	-169.3	167.8	0	111.4	T490	K488-T490 PolarHBondContact O-N 3.47Å; K488-T490 VanDerWaalsContact O-N 3.14Å
489	T	45.5	Very low	54.3	Low	115 Å²	115	96.8 Å²	96.8	71%	0.706	53%	0.528	S	S	*	.			trans	32	68.6	154.2	55.3	0	0	0	0	116.7	F491	T489-F491 PolarHBondContact O-N 3.42Å
490	T	59.6	Low	55.7	Low	64 Å²	64	90.2 Å²	90.2	39%	0.393	51%	0.509	S	S	.	.			trans	-77.1	108.2	-177.9	52.1	0	0	0	0	112.3	K488 K492	K488-T490 PolarHBondContact O-N 3.47Å; K488-T490 VanDerWaalsContact O-N 3.14Å; T490-K492 PolarHBondContact O-N 2.9Å
491	F	79.7	Confident	57.7	Low	10 Å²	10	91.6 Å²	91.6	4%	0.044	52%	0.518	C	S	.	.			trans	-59.8	132.4	168.4	176.8	-108.9	0	0	0	111	R481 T489 V508 M554 L566 N567 W574	R481-F491 PolarHBondContact NH2-O 2.88Å; T489-F491 PolarHBondContact O-N 3.42Å; F491-V508 HydrophobicContact CE2-CB 3.7Å; F491-V508 HydrophobicContact CE2-CG1 3.74Å; F491-V508 HydrophobicContact CE2-CG2 4.47Å; F491-V508 HydrophobicContact CZ-CB 4.11Å; F491-V508 HydrophobicContact CZ-CG1 3.61Å; F491-M554 HydrophobicContact CE2-SD 3.99Å; F491-M554 HydrophobicContact CZ-SD 4.11Å; F491-L566 HydrophobicContact CE1-CB 4.01Å; F491-L566 HydrophobicContact CZ-CB 3.98Å; F491-N567 HydrophobicContact CD1-CB 3.78Å; F491-N567 WeakPolarHBondContact CD1-OD1 3.49Å; F491-N567 HydrophobicContact CD2-CB 3.94Å; F491-N567 HydrophobicContact CE1-CB 3.82Å; F491-N567 WeakPolarHBondContact CE1-OD1 3.39Å; F491-N567 HydrophobicContact CE2-CB 3.99Å; F491-N567 HydrophobicContact CG-CB 3.83Å; F491-N567 WeakPolarHBondContact CG-OD1 3.39Å; F491-N567 HydrophobicContact CZ-CB 3.92Å; F491-W574 AromaticContact CD2-CH2 3.6Å; F491-W574 HydrophobicContact CD2-CH2 3.6Å; F491-W574 HydrophobicContact CD2-CZ2 4.46Å; F491-W574 HydrophobicContact CD2-CZ3 4.32Å; F491-W574 AromaticContact CE2-CH2 3.58Å; F491-W574 HydrophobicContact CE2-CH2 3.58Å; F491-W574 HydrophobicContact CE2-CZ3 4.07Å
492	K	85.3	Confident	60.1	Low	42 Å²	42	89.2 Å²	89.2	18%	0.183	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149	178.3	-51.5	-176.7	169.2	-165.1	0	110	E478 T480 T490 V508 N509 W514	E478-K492 IonicContact OE1-NZ 2.92Å; T480-K492 HydrophobicContact CG2-CB 4.19Å; T480-K492 HydrophobicContact CG2-CD 3.54Å; T480-K492 HydrophobicContact CG2-CG 3.69Å; T480-K492 WeakPolarHBondContact OG1-CE 3.29Å; T480-K492 PolarHBondContact OG1-NZ 3.25Å; T490-K492 PolarHBondContact O-N 2.9Å; K492-V508 CarbonylContact O-C 3.59Å; K492-V508 VanDerWaalsContact O-CA 3.27Å; K492-V508 WeakPolarHBondContact O-CA 3.47Å; K492-N509 HydrophobicContact CB-CB 4.33Å; K492-N509 PolarHBondContact N-O 3.1Å; K492-N509 PolarHBondContact O-N 3.04Å; K492-W514 HydrophobicContact CB-CH2 3.62Å; K492-W514 HydrophobicContact CB-CZ2 4.23Å; K492-W514 HydrophobicContact CB-CZ3 4.22Å; K492-W514 HydrophobicContact CD-CZ2 4.38Å
493	A	90.6	Very high	62.8	Low	16 Å²	16	84.5 Å²	84.5	13%	0.132	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152	172.7	0	0	0	0	0	110.1	E507 V508 V530 L534	A493-E507 CarbonylContact C-O 3.59Å; A493-E507 WeakPolarHBondContact CA-O 3.12Å; A493-V508 HydrophobicContact CB-CG1 4.43Å; A493-V530 HydrophobicContact CB-CG2 4.02Å; A493-L534 WeakPolarHBondContact O-CD2 3.42Å
494	R	93.1	Very high	65.5	Low	77 Å²	77	74.8 Å²	74.8	29%	0.291	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	160.6	174.2	72.9	-176.3	-175.6	-176.1	1.9	111.6	T496 E507 W514	R494-T496 HydrophobicContact CG-CG2 4.02Å; R494-E507 HydrophobicContact CG-CB 3.92Å; R494-E507 IonicContact CZ-OE2 2.64Å; R494-E507 PolarHBondContact N-O 3.15Å; R494-E507 IonicContact NE-OE2 3.61Å; R494-E507 PolarHBondContact NE-OE2 2.82Å; R494-E507 IonicContact NH2-OE2 2.76Å; R494-E507 PolarHBondContact NH2-OE2 3.32Å; R494-E507 PolarHBondContact O-N 3.3Å; R494-W514 HydrophobicContact CB-CH2 3.97Å; R494-W514 HydrophobicContact CB-CZ3 3.85Å; R494-W514 HydrophobicContact CG-CD2 4.39Å; R494-W514 HydrophobicContact CG-CE3 3.71Å; R494-W514 HydrophobicContact CG-CH2 3.93Å; R494-W514 HydrophobicContact CG-CZ3 3.46Å; R494-W514 VanDerWaalsContact CG-CZ3 3.46Å
495	L	90.4	Very high	68.6	Low	17 Å²	17	72.7 Å²	72.7	9%	0.089	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.6	167.4	-51.4	-176.3	0	0	0	110.4	K505 V506 L534 V587	L495-K505 WeakPolarHBondContact CA-O 3.2Å; L495-V506 HydrophobicContact CD2-CG2 4.11Å; L495-L534 HydrophobicContact CD1-CD1 4.11Å; L495-L534 HydrophobicContact CD2-CD1 3.75Å; L495-L534 HydrophobicContact CG-CD1 3.67Å; L495-V587 HydrophobicContact CD1-CG2 3.92Å; L495-V587 HydrophobicContact CD2-CG2 3.38Å; L495-V587 HydrophobicContact CG-CG2 4.31Å
496	T	88.6	Confident	71.7	Confident	33 Å²	33	67.5 Å²	67.5	20%	0.202	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.6	175.1	66.7	0	0	0	0	112.3	R494 G498 G504 K505 E507	R494-T496 HydrophobicContact CG-CG2 4.02Å; T496-G498 VanDerWaalsContact C-N 3.28Å; T496-G498 PolarHBondContact O-N 3.39Å; T496-G504 CarbonylContact O-C 3.56Å; T496-G504 WeakPolarHBondContact O-CA 3.28Å; T496-K505 PolarHBondContact N-O 2.87Å; T496-K505 PolarHBondContact O-N 3.2Å; T496-K505 WeakPolarHBondContact OG1-CE 3.39Å; T496-E507 HydrophobicContact CG2-CG 4.33Å; T496-E507 VanDerWaalsContact CG2-OE2 3.3Å; T496-E507 WeakPolarHBondContact CG2-OE2 3.47Å; T496-E507 VanDerWaalsContact OG1-CD 3.28Å; T496-E507 PolarHBondContact OG1-OE1 2.77Å
497	G	73.9	Confident	74.7	Confident	84 Å²	84	59.1 Å²	59.1	87%	0.866	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	75	-0.1	171.4	0	0	0	0	0	117.3
498	G	62.6	Low	77.5	Confident	29 Å²	29	50.3 Å²	50.3	30%	0.299	29%	0.29	S	S	.	.			trans	-75.3	164.5	169.3	0	0	0	0	0	112.9	T496 E503	T496-G498 VanDerWaalsContact C-N 3.28Å; T496-G498 PolarHBondContact O-N 3.39Å; G498-E503 WeakPolarHBondContact CA-O 3.49Å
499	T	60.8	Low	80.1	Confident	108 Å²	108	42.1 Å²	42.1	66%	0.663	26%	0.255	S	S	*	.	S	Bend	trans	-81.1	-18.1	178.9	58	0	0	0	0	113.4	E503	T499-E503 PolarHBondContact N-OE1 3.07Å; T499-E503 PolarHBondContact OG1-OE1 2.84Å
500	V	62.1	Low	81.4	Confident	46 Å²	46	39.1 Å²	39.1	28%	0.279	23%	0.234	S	C	.	.	S	Bend	trans	-136.1	156.1	-177.9	-67.8	0	0	0	0	110.7	W502 E503	V500-W502 HydrophobicContact CB-CD2 4.05Å; V500-W502 HydrophobicContact CB-CE3 4.33Å; V500-W502 HydrophobicContact CB-CH2 4.06Å; V500-W502 HydrophobicContact CB-CZ2 3.75Å; V500-W502 HydrophobicContact CB-CZ3 4.34Å; V500-W502 HydrophobicContact CG1-CH2 4.24Å; V500-W502 HydrophobicContact CG1-CZ2 3.93Å; V500-W502 HydrophobicContact CG2-CD2 3.92Å; V500-W502 HydrophobicContact CG2-CG 4.13Å; V500-W502 HydrophobicContact CG2-CZ2 3.94Å; V500-W502 PolarHBondContact O-N 2.81Å; V500-W502 VanDerWaalsContact O-N 3.1Å; V500-E503 HydrophobicContact CG2-CB 3.56Å; V500-E503 HydrophobicContact CG2-CG 4.49Å; V500-E503 PolarHBondContact O-N 3.16Å; V500-E503 VanDerWaalsContact O-N 3.15Å
501	P	71.3	Confident	81.6	Confident	77 Å²	77	39.8 Å²	39.8	50%	0.5	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20	-173.7	-27	35.6	0	0	0	116.9	Y536	P501-Y536 VanDerWaalsContact C-OH 3.24Å; P501-Y536 PolarHBondContact O-OH 3Å
502	W	82.3	Confident	81.1	Confident	86 Å²	86	42 Å²	42	33%	0.326	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	17.3	-179.9	54.5	91.7	0	0	0	113.1	V500 Y536 C589 V591	V500-W502 HydrophobicContact CB-CD2 4.05Å; V500-W502 HydrophobicContact CB-CE3 4.33Å; V500-W502 HydrophobicContact CB-CH2 4.06Å; V500-W502 HydrophobicContact CB-CZ2 3.75Å; V500-W502 HydrophobicContact CB-CZ3 4.34Å; V500-W502 HydrophobicContact CG1-CH2 4.24Å; V500-W502 HydrophobicContact CG1-CZ2 3.93Å; V500-W502 HydrophobicContact CG2-CD2 3.92Å; V500-W502 HydrophobicContact CG2-CG 4.13Å; V500-W502 HydrophobicContact CG2-CZ2 3.94Å; V500-W502 PolarHBondContact O-N 2.81Å; V500-W502 VanDerWaalsContact O-N 3.1Å; W502-Y536 WeakPolarHBondContact CA-OH 3Å; W502-Y536 HydrophobicContact CB-CD1 4.16Å; W502-Y536 HydrophobicContact CB-CE1 3.55Å; W502-Y536 HydrophobicContact CB-CE2 4.17Å; W502-Y536 PolarHBondContact N-OH 2.92Å; W502-C589 HydrophobicContact CB-CB 4.2Å; W502-C589 PolarHBondContact O-N 3.31Å; W502-V591 HydrophobicContact CB-CG1 4.23Å; W502-V591 HydrophobicContact CD2-CG1 3.92Å; W502-V591 HydrophobicContact CD2-CG2 4.46Å; W502-V591 HydrophobicContact CE3-CG1 4.02Å; W502-V591 HydrophobicContact CG-CG1 4.03Å
503	E	85.1	Confident	80.6	Confident	29 Å²	29	44.3 Å²	44.3	14%	0.136	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.4	-174.4	-174.7	-177.8	94.8	0	0	110.6	G498 T499 V500 W543 V587 Q588	G498-E503 WeakPolarHBondContact CA-O 3.49Å; T499-E503 PolarHBondContact N-OE1 3.07Å; T499-E503 PolarHBondContact OG1-OE1 2.84Å; V500-E503 HydrophobicContact CG2-CB 3.56Å; V500-E503 HydrophobicContact CG2-CG 4.49Å; V500-E503 PolarHBondContact O-N 3.16Å; V500-E503 VanDerWaalsContact O-N 3.15Å; E503-W543 HydrophobicContact CG-CH2 3.24Å; E503-W543 HydrophobicContact CG-CZ2 4.11Å; E503-W543 HydrophobicContact CG-CZ3 3.74Å; E503-V587 WeakPolarHBondContact CA-O 3.37Å; E503-Q588 PolarHBondContact OE2-NE2 2.94Å
504	G	88.1	Confident	80.6	Confident	0 Å²	0	47 Å²	47	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.9	-174	167.9	0	0	0	0	0	115.4	T496 G586 V587	T496-G504 CarbonylContact O-C 3.56Å; T496-G504 WeakPolarHBondContact O-CA 3.28Å; G504-G586 CarbonylContact O-C 3.5Å; G504-G586 WeakPolarHBondContact O-CA 3.37Å; G504-V587 PolarHBondContact N-O 3.33Å; G504-V587 PolarHBondContact O-N 2.89Å
505	K	93.6	Very high	80.5	Confident	21 Å²	21	43.4 Å²	43.4	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	136.8	173.1	-170.4	-172	65.2	172.5	0	109.7	L495 T496 E507 A516 M546 N548 A584 A585	L495-K505 WeakPolarHBondContact CA-O 3.2Å; T496-K505 PolarHBondContact N-O 2.87Å; T496-K505 PolarHBondContact O-N 3.2Å; T496-K505 WeakPolarHBondContact OG1-CE 3.39Å; K505-E507 WeakPolarHBondContact CE-OE1 3.3Å; K505-E507 IonicContact NZ-OE1 3.07Å; K505-E507 PolarHBondContact NZ-OE1 2.68Å; K505-A516 HydrophobicContact CD-CB 4.29Å; K505-M546 VanDerWaalsContact CA-SD 3.53Å; K505-M546 HydrophobicContact CB-CE 3.87Å; K505-M546 HydrophobicContact CB-SD 3.74Å; K505-M546 HydrophobicContact CG-CB 4.32Å; K505-M546 HydrophobicContact CG-SD 4.17Å; K505-N548 HydrophobicContact CD-CB 4.28Å; K505-N548 PolarHBondContact NZ-OD1 2.77Å; K505-A584 HydrophobicContact CD-CB 3.92Å; K505-A584 HydrophobicContact CG-CB 4.09Å; K505-A585 WeakPolarHBondContact CA-O 3.28Å; K505-A585 WeakPolarHBondContact CG-O 3.33Å
506	V	94.9	Very high	80.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.2	177.1	-178.5	0	0	0	0	109.3	L495 A516 V517 W522 V530 L566 A585 V587	L495-V506 HydrophobicContact CD2-CG2 4.11Å; V506-A516 WeakPolarHBondContact O-CA 3.35Å; V506-V517 HydrophobicContact CB-CG2 4.49Å; V506-V517 HydrophobicContact CG1-CB 4.45Å; V506-V517 HydrophobicContact CG1-CG2 3.86Å; V506-V517 PolarHBondContact O-N 2.96Å; V506-W522 HydrophobicContact CG1-CH2 4.34Å; V506-W522 HydrophobicContact CG2-CH2 4.21Å; V506-W522 HydrophobicContact CG2-CZ2 3.82Å; V506-V530 HydrophobicContact CG1-CG2 4.17Å; V506-V530 HydrophobicContact CG2-CG1 4.27Å; V506-L566 HydrophobicContact CG1-CD2 4.27Å; V506-A585 PolarHBondContact N-O 2.99Å; V506-V587 HydrophobicContact CG2-CG1 3.89Å; V506-V587 HydrophobicContact CG2-CG2 4.1Å
507	E	94.5	Very high	81	Confident	20 Å²	20	41 Å²	41	9%	0.093	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.5	170.4	-70.7	176.2	-168.4	0	0	110.4	A493 R494 T496 K505 W514 A515	A493-E507 CarbonylContact C-O 3.59Å; A493-E507 WeakPolarHBondContact CA-O 3.12Å; R494-E507 HydrophobicContact CG-CB 3.92Å; R494-E507 IonicContact CZ-OE2 2.64Å; R494-E507 PolarHBondContact N-O 3.15Å; R494-E507 IonicContact NE-OE2 3.61Å; R494-E507 PolarHBondContact NE-OE2 2.82Å; R494-E507 IonicContact NH2-OE2 2.76Å; R494-E507 PolarHBondContact NH2-OE2 3.32Å; R494-E507 PolarHBondContact O-N 3.3Å; T496-E507 HydrophobicContact CG2-CG 4.33Å; T496-E507 VanDerWaalsContact CG2-OE2 3.3Å; T496-E507 WeakPolarHBondContact CG2-OE2 3.47Å; T496-E507 VanDerWaalsContact OG1-CD 3.28Å; T496-E507 PolarHBondContact OG1-OE1 2.77Å; K505-E507 WeakPolarHBondContact CE-OE1 3.3Å; K505-E507 IonicContact NZ-OE1 3.07Å; K505-E507 PolarHBondContact NZ-OE1 2.68Å; E507-W514 HydrophobicContact CB-CE3 4.13Å; E507-W514 WeakPolarHBondContact O-CZ3 3.46Å; E507-A515 CarbonylContact C-O 3.28Å; E507-A515 WeakPolarHBondContact CA-O 3.37Å; E507-A515 WeakPolarHBondContact CB-O 3.43Å
508	V	92.9	Very high	81.9	Confident	0 Å²	0	37 Å²	37	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	157.6	177.9	-65.7	0	0	0	0	110.7	F491 K492 A493 W514 A515 V517 L553 M554 L566	F491-V508 HydrophobicContact CE2-CB 3.7Å; F491-V508 HydrophobicContact CE2-CG1 3.74Å; F491-V508 HydrophobicContact CE2-CG2 4.47Å; F491-V508 HydrophobicContact CZ-CB 4.11Å; F491-V508 HydrophobicContact CZ-CG1 3.61Å; K492-V508 CarbonylContact O-C 3.59Å; K492-V508 VanDerWaalsContact O-CA 3.27Å; K492-V508 WeakPolarHBondContact O-CA 3.47Å; A493-V508 HydrophobicContact CB-CG1 4.43Å; V508-W514 WeakPolarHBondContact O-CA 3.38Å; V508-A515 PolarHBondContact N-O 2.85Å; V508-A515 PolarHBondContact O-N 3.39Å; V508-V517 HydrophobicContact CB-CG2 4.47Å; V508-V517 HydrophobicContact CG1-CG2 3.69Å; V508-V517 HydrophobicContact CG2-CG2 3.99Å; V508-L553 HydrophobicContact CG2-CB 3.73Å; V508-L553 HydrophobicContact CG2-CD1 4.24Å; V508-M554 HydrophobicContact CG1-SD 4.14Å; V508-M554 HydrophobicContact CG2-CG 4.2Å; V508-M554 HydrophobicContact CG2-SD 4.08Å; V508-L566 HydrophobicContact CG1-CD2 4.16Å
509	N	87	Confident	83.4	Confident	11 Å²	11	36.7 Å²	36.7	6%	0.059	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.2	175.8	-178.3	-36.4	0	0	0	109.7	K492 G512 S513 W514	K492-N509 HydrophobicContact CB-CB 4.33Å; K492-N509 PolarHBondContact N-O 3.1Å; K492-N509 PolarHBondContact O-N 3.04Å; N509-G512 PolarHBondContact ND2-O 2.94Å; N509-G512 WeakPolarHBondContact OD1-CA 2.99Å; N509-G512 PolarHBondContact OD1-N 3.3Å; N509-S513 WeakPolarHBondContact CA-O 3.47Å; N509-S513 WeakPolarHBondContact CB-O 3.45Å; N509-S513 VanDerWaalsContact ND2-C 3.34Å; N509-S513 PolarHBondContact ND2-O 3.36Å; N509-S513 PolarHBondContact OD1-O 3.06Å; N509-W514 HydrophobicContact CB-CD2 3.57Å; N509-W514 HydrophobicContact CB-CE3 3.58Å; N509-W514 HydrophobicContact CB-CG 4.08Å; N509-W514 HydrophobicContact CB-CH2 4.18Å; N509-W514 HydrophobicContact CB-CZ2 4.16Å; N509-W514 HydrophobicContact CB-CZ3 3.88Å; N509-W514 PolarHBondContact ND2-NE1 3.1Å
510	I	73.6	Confident	84.8	Confident	51 Å²	51	35.2 Å²	35.2	26%	0.262	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121.8	167	-171.1	169.6	0	0	0	107.1	G512 L553 W574	I510-G512 PolarHBondContact O-N 2.68Å; I510-L553 HydrophobicContact CG2-CD1 4.4Å; I510-L553 HydrophobicContact CG2-CD2 4.27Å; I510-W574 HydrophobicContact CB-CZ3 4.44Å; I510-W574 HydrophobicContact CD1-CD2 4.2Å; I510-W574 HydrophobicContact CD1-CH2 4.22Å; I510-W574 HydrophobicContact CD1-CZ2 3.64Å; I510-W574 HydrophobicContact CG2-CD2 3.99Å; I510-W574 HydrophobicContact CG2-CE3 3.68Å; I510-W574 HydrophobicContact CG2-CH2 4.37Å; I510-W574 HydrophobicContact CG2-CZ3 3.88Å
511	G	63.3	Low	85.9	Confident	79 Å²	79	34.6 Å²	34.6	81%	0.814	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	9.2	176.4	0	0	0	0	0	117.1
512	G	68.6	Low	86.9	Confident	57 Å²	57	31.6 Å²	31.6	59%	0.588	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	129.1	-31.4	164.5	0	0	0	0	0	115.4	N509 I510	N509-G512 PolarHBondContact ND2-O 2.94Å; N509-G512 WeakPolarHBondContact OD1-CA 2.99Å; N509-G512 PolarHBondContact OD1-N 3.3Å; I510-G512 PolarHBondContact O-N 2.68Å
513	S	75.4	Confident	87.2	Confident	89 Å²	89	30.3 Å²	30.3	62%	0.622	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.4	-178.7	-67.5	0	0	0	0	112.7	N509	N509-S513 WeakPolarHBondContact CA-O 3.47Å; N509-S513 WeakPolarHBondContact CB-O 3.45Å; N509-S513 VanDerWaalsContact ND2-C 3.34Å; N509-S513 PolarHBondContact ND2-O 3.36Å; N509-S513 PolarHBondContact OD1-O 3.06Å
514	W	90.2	Very high	87.5	Confident	72 Å²	72	30.6 Å²	30.6	27%	0.273	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.7	172.2	-67.4	92.1	0	0	0	110.8	K492 R494 E507 V508 N509 N551	K492-W514 HydrophobicContact CB-CH2 3.62Å; K492-W514 HydrophobicContact CB-CZ2 4.23Å; K492-W514 HydrophobicContact CB-CZ3 4.22Å; K492-W514 HydrophobicContact CD-CZ2 4.38Å; R494-W514 HydrophobicContact CB-CH2 3.97Å; R494-W514 HydrophobicContact CB-CZ3 3.85Å; R494-W514 HydrophobicContact CG-CD2 4.39Å; R494-W514 HydrophobicContact CG-CE3 3.71Å; R494-W514 HydrophobicContact CG-CH2 3.93Å; R494-W514 HydrophobicContact CG-CZ3 3.46Å; R494-W514 VanDerWaalsContact CG-CZ3 3.46Å; E507-W514 HydrophobicContact CB-CE3 4.13Å; E507-W514 WeakPolarHBondContact O-CZ3 3.46Å; V508-W514 WeakPolarHBondContact O-CA 3.38Å; N509-W514 HydrophobicContact CB-CD2 3.57Å; N509-W514 HydrophobicContact CB-CE3 3.58Å; N509-W514 HydrophobicContact CB-CG 4.08Å; N509-W514 HydrophobicContact CB-CH2 4.18Å; N509-W514 HydrophobicContact CB-CZ2 4.16Å; N509-W514 HydrophobicContact CB-CZ3 3.88Å; N509-W514 PolarHBondContact ND2-NE1 3.1Å; W514-N551 PolarHBondContact O-ND2 3.19Å; W514-N551 VanDerWaalsContact O-ND2 3.16Å
515	A	90.8	Very high	87.7	Confident	3 Å²	3	33 Å²	33	3%	0.025	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	165.3	172.9	0	0	0	0	0	110.3	E507 V508 N551 L553	E507-A515 CarbonylContact C-O 3.28Å; E507-A515 WeakPolarHBondContact CA-O 3.37Å; E507-A515 WeakPolarHBondContact CB-O 3.43Å; V508-A515 PolarHBondContact N-O 2.85Å; V508-A515 PolarHBondContact O-N 3.39Å; A515-N551 WeakPolarHBondContact CB-OD1 3.42Å; A515-L553 HydrophobicContact CB-CB 3.89Å; A515-L553 HydrophobicContact CB-CD1 3.67Å; A515-L553 HydrophobicContact CB-CG 3.53Å
516	A	94.1	Very high	87.8	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	165.7	176.6	0	0	0	0	0	112.5	K505 V506 N548 N551 Y552 L553 A584	K505-A516 HydrophobicContact CD-CB 4.29Å; V506-A516 WeakPolarHBondContact O-CA 3.35Å; A516-N548 HydrophobicContact CB-CB 4.25Å; A516-N548 VanDerWaalsContact CB-CG 3.43Å; A516-N548 WeakPolarHBondContact CB-ND2 3.43Å; A516-N548 WeakPolarHBondContact CB-OD1 3.24Å; A516-N551 PolarHBondContact N-O 3.46Å; A516-Y552 HydrophobicContact CB-CD1 3.65Å; A516-Y552 HydrophobicContact CB-CE1 3.78Å; A516-Y552 CarbonylContact O-C 3.47Å; A516-Y552 VanDerWaalsContact O-CA 3.3Å; A516-Y552 WeakPolarHBondContact O-CA 3.4Å; A516-L553 PolarHBondContact O-N 2.77Å; A516-A584 HydrophobicContact CB-CB 4.09Å
517	V	95.1	Very high	87.7	Confident	0 Å²	0	32 Å²	32	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	138.2	161.8	-178.5	0	0	0	0	107.6	V506 V508 W522 M554 V557 L566 A584 A585	V506-V517 HydrophobicContact CB-CG2 4.49Å; V506-V517 HydrophobicContact CG1-CB 4.45Å; V506-V517 HydrophobicContact CG1-CG2 3.86Å; V506-V517 PolarHBondContact O-N 2.96Å; V508-V517 HydrophobicContact CB-CG2 4.47Å; V508-V517 HydrophobicContact CG1-CG2 3.69Å; V508-V517 HydrophobicContact CG2-CG2 3.99Å; V517-W522 HydrophobicContact CB-CZ3 4.49Å; V517-W522 HydrophobicContact CG1-CE3 3.85Å; V517-W522 HydrophobicContact CG1-CZ3 3.73Å; V517-M554 HydrophobicContact CG1-CB 4.15Å; V517-M554 HydrophobicContact CG2-CB 4.32Å; V517-M554 HydrophobicContact CG2-SD 4.47Å; V517-V557 HydrophobicContact CG1-CB 4.42Å; V517-V557 HydrophobicContact CG1-CG2 3.62Å; V517-L566 HydrophobicContact CG2-CD2 4.08Å; V517-A584 WeakPolarHBondContact O-CA 3.1Å; V517-A585 HydrophobicContact CB-CB 4.17Å; V517-A585 HydrophobicContact CG1-CB 4.3Å; V517-A585 PolarHBondContact O-N 2.94Å
518	C	94.3	Very high	87.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-70.5	153.1	174.7	-171.5	0	0	0	0	111.1	D520 Y552 M554 D555 C579 E583	C518-D520 VanDerWaalsContact C-N 3.35Å; C518-Y552 HydrophobicContact CB-CD1 4.21Å; C518-M554 PolarHBondContact N-O 3.04Å; C518-D555 HydrophobicContact CB-CB 4.22Å; C518-D555 WeakPolarHBondContact CB-OD1 3.46Å; C518-C579 HydrophobicContact CB-CB 3.92Å; C518-C579 WeakPolarHBondContact CB-SG 3.26Å; C518-C579 WeakPolarHBondContact SG-CB 3.16Å; C518-C579 CovalentContact SG-SG 2.01Å; C518-C579 PolarHBondContact SG-SG 2.84Å; C518-E583 WeakPolarHBondContact CA-O 3.4Å; C518-E583 PolarHBondContact SG-O 2.89Å; C518-E583 VanDerWaalsContact SG-O 3.33Å
519	D	93.7	Very high	87.7	Confident	22 Å²	22	33.3 Å²	33.3	12%	0.118	22%	0.215	C	C	.	.	S	Bend	trans	-82.2	-8.8	176.5	59.3	-16.8	0	0	0	114.5	G521 W522 I544 G545 E583	D519-G521 PolarHBondContact O-N 3.22Å; D519-W522 HydrophobicContact CB-CB 4.43Å; D519-W522 WeakPolarHBondContact O-CB 3.36Å; D519-W522 PolarHBondContact O-N 2.78Å; D519-I544 HydrophobicContact CB-CB 3.75Å; D519-I544 HydrophobicContact CB-CG2 3.85Å; D519-I544 WeakPolarHBondContact OD2-CB 3.3Å; D519-G545 PolarHBondContact OD2-N 3.49Å; D519-E583 VanDerWaalsContact CG-C 3.5Å; D519-E583 PolarHBondContact N-O 2.95Å; D519-E583 WeakPolarHBondContact OD1-CA 3.25Å; D519-E583 WeakPolarHBondContact OD1-CB 3.39Å; D519-E583 VanDerWaalsContact OD1-O 3.12Å
520	D	89.5	Confident	88.1	Confident	77 Å²	77	32.8 Å²	32.8	41%	0.412	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	122.4	173.3	-81.2	-48.8	0	0	0	112.2	C518 W522 D556 V557	C518-D520 VanDerWaalsContact C-N 3.35Å; D520-W522 PolarHBondContact O-N 3.04Å; D520-D556 WeakPolarHBondContact O-CA 3.18Å; D520-D556 PolarHBondContact O-N 3.44Å; D520-V557 PolarHBondContact O-N 3.07Å
521	G	85.1	Confident	88.9	Confident	33 Å²	33	30.3 Å²	30.3	34%	0.34	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	-7.8	-170	0	0	0	0	0	115.6	D519 N523 V557	D519-G521 PolarHBondContact O-N 3.22Å; G521-N523 PolarHBondContact O-N 3.21Å; G521-V557 CarbonylContact C-O 3.56Å
522	W	93.4	Very high	90.3	Very high	14 Å²	14	30.9 Å²	30.9	5%	0.053	18%	0.177	C	C	.	.			trans	-67	125.5	-174.9	-168.1	-105.7	0	0	0	112.3	V506 V517 D519 D520 A526 V530 V557 L566 A585 G586 V587	V506-W522 HydrophobicContact CG1-CH2 4.34Å; V506-W522 HydrophobicContact CG2-CH2 4.21Å; V506-W522 HydrophobicContact CG2-CZ2 3.82Å; V517-W522 HydrophobicContact CB-CZ3 4.49Å; V517-W522 HydrophobicContact CG1-CE3 3.85Å; V517-W522 HydrophobicContact CG1-CZ3 3.73Å; D519-W522 HydrophobicContact CB-CB 4.43Å; D519-W522 WeakPolarHBondContact O-CB 3.36Å; D519-W522 PolarHBondContact O-N 2.78Å; D520-W522 PolarHBondContact O-N 3.04Å; W522-A526 HydrophobicContact CD2-CB 4.08Å; W522-A526 HydrophobicContact CE3-CB 3.77Å; W522-A526 HydrophobicContact CH2-CB 3.98Å; W522-A526 HydrophobicContact CZ2-CB 4.28Å; W522-A526 HydrophobicContact CZ3-CB 3.73Å; W522-V530 HydrophobicContact CH2-CG1 4.1Å; W522-V530 HydrophobicContact CZ2-CG1 4.09Å; W522-V557 HydrophobicContact CE3-CB 4.14Å; W522-V557 HydrophobicContact CE3-CG1 4.32Å; W522-V557 HydrophobicContact CZ3-CB 4.32Å; W522-V557 HydrophobicContact CZ3-CG1 4.07Å; W522-L566 HydrophobicContact CH2-CD1 3.83Å; W522-L566 HydrophobicContact CH2-CD2 3.88Å; W522-L566 HydrophobicContact CZ3-CD1 3.8Å; W522-L566 HydrophobicContact CZ3-CD2 3.92Å; W522-L566 HydrophobicContact CZ3-CG 4.42Å; W522-A585 HydrophobicContact CB-CB 4.26Å; W522-A585 HydrophobicContact CD2-CB 3.44Å; W522-A585 VanDerWaalsContact CD2-CB 3.44Å; W522-A585 HydrophobicContact CE3-CB 3.89Å; W522-A585 HydrophobicContact CG-CB 3.57Å; W522-A585 HydrophobicContact CZ2-CB 4.29Å; W522-A585 HydrophobicContact CZ3-CB 4.47Å; W522-G586 PolarHBondContact NE1-O 3.47Å; W522-V587 HydrophobicContact CZ2-CG1 3.74Å
523	N	88.5	Confident	91.4	Very high	58 Å²	58	30.1 Å²	30.1	31%	0.31	16%	0.158	S	C	.	.			trans	-143	178.1	-174.6	66.5	31.6	0	0	0	112.2	G521 N525 A526 A527	G521-N523 PolarHBondContact O-N 3.21Å; N523-N525 VanDerWaalsContact C-N 3.26Å; N523-N525 PolarHBondContact O-N 3.28Å; N523-N525 WeakPolarHBondContact OD1-CA 3.46Å; N523-N525 WeakPolarHBondContact OD1-CB 3.26Å; N523-N525 PolarHBondContact OD1-N 2.99Å; N523-A526 PolarHBondContact O-N 2.61Å; N523-A526 PolarHBondContact OD1-N 2.77Å; N523-A527 PolarHBondContact O-N 3.38Å
524	I	91.2	Very high	92.1	Very high	36 Å²	36	28.4 Å²	28.4	19%	0.185	14%	0.142	C	C	.	.	H	α-helix	trans	-60.9	-32.3	-179.1	-163.9	63.8	0	0	0	112.5	A527 R528 A539 S542	I524-A527 HydrophobicContact CD1-CB 4.31Å; I524-A527 CarbonylContact O-C 3.57Å; I524-A527 WeakPolarHBondContact O-CB 3.3Å; I524-A527 PolarHBondContact O-N 3.41Å; I524-R528 HydrophobicContact CG1-CG 4.42Å; I524-R528 WeakPolarHBondContact O-CB 3.28Å; I524-R528 WeakPolarHBondContact O-CG 2.98Å; I524-R528 PolarHBondContact O-N 3.04Å; I524-A539 HydrophobicContact CD1-CB 4.24Å; I524-S542 PolarHBondContact N-OG 2.8Å
525	N	92.5	Very high	91.8	Very high	51 Å²	51	28.2 Å²	28.2	27%	0.273	16%	0.162	S	C	.	.	H	α-helix	trans	-67.1	-40	177.1	-69.4	-21.7	0	0	0	112	N523 A527 R528 V529	N523-N525 VanDerWaalsContact C-N 3.26Å; N523-N525 PolarHBondContact O-N 3.28Å; N523-N525 WeakPolarHBondContact OD1-CA 3.46Å; N523-N525 WeakPolarHBondContact OD1-CB 3.26Å; N523-N525 PolarHBondContact OD1-N 2.99Å; N525-A527 VanDerWaalsContact C-N 3.33Å; N525-R528 PolarHBondContact O-N 3.2Å; N525-V529 WeakPolarHBondContact O-CG2 3.49Å; N525-V529 PolarHBondContact O-N 3.03Å; N525-V529 VanDerWaalsContact O-N 3.09Å
526	A	94.4	Very high	91.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-38.5	171.6	0	0	0	0	0	112	W522 N523 V529 V530 V557 C559 L566	W522-A526 HydrophobicContact CD2-CB 4.08Å; W522-A526 HydrophobicContact CE3-CB 3.77Å; W522-A526 HydrophobicContact CH2-CB 3.98Å; W522-A526 HydrophobicContact CZ2-CB 4.28Å; W522-A526 HydrophobicContact CZ3-CB 3.73Å; N523-A526 PolarHBondContact O-N 2.61Å; N523-A526 PolarHBondContact OD1-N 2.77Å; A526-V529 PolarHBondContact O-N 2.9Å; A526-V530 PolarHBondContact O-N 2.76Å; A526-V530 VanDerWaalsContact O-N 3.09Å; A526-V557 HydrophobicContact CB-CG1 4.49Å; A526-C559 VanDerWaalsContact CA-SG 3.55Å; A526-C559 HydrophobicContact CB-CB 4.23Å; A526-L566 HydrophobicContact CB-CD1 4.4Å
527	A	94.1	Very high	90.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-45.1	172.8	0	0	0	0	0	112.4	N523 I524 N525 V529 V530 C531 A539 V587	N523-A527 PolarHBondContact O-N 3.38Å; I524-A527 HydrophobicContact CD1-CB 4.31Å; I524-A527 CarbonylContact O-C 3.57Å; I524-A527 WeakPolarHBondContact O-CB 3.3Å; I524-A527 PolarHBondContact O-N 3.41Å; N525-A527 VanDerWaalsContact C-N 3.33Å; A527-V529 PolarHBondContact O-N 3.05Å; A527-V530 WeakPolarHBondContact O-CG1 3.34Å; A527-V530 PolarHBondContact O-N 3.36Å; A527-C531 WeakPolarHBondContact O-CB 3.09Å; A527-C531 PolarHBondContact O-N 2.88Å; A527-C531 PolarHBondContact O-SG 3.35Å; A527-C531 VanDerWaalsContact O-SG 3.41Å; A527-A539 VanDerWaalsContact C-CB 3.41Å; A527-A539 HydrophobicContact CB-CB 3.66Å; A527-V587 HydrophobicContact CB-CB 4.31Å; A527-V587 HydrophobicContact CB-CG1 3.45Å; A527-V587 VanDerWaalsContact CB-CG1 3.45Å
528	R	92.3	Very high	90.1	Very high	46 Å²	46	35.1 Å²	35.1	17%	0.174	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-44	177.7	-71.4	175.5	169.8	175.8	-11.5	111.4	I524 N525 R532 Q538 A539 D619	I524-R528 HydrophobicContact CG1-CG 4.42Å; I524-R528 WeakPolarHBondContact O-CB 3.28Å; I524-R528 WeakPolarHBondContact O-CG 2.98Å; I524-R528 PolarHBondContact O-N 3.04Å; N525-R528 PolarHBondContact O-N 3.2Å; R528-R532 VanDerWaalsContact O-CB 3.3Å; R528-R532 WeakPolarHBondContact O-CB 3.47Å; R528-R532 PolarHBondContact O-N 2.86Å; R528-Q538 VanDerWaalsContact CB-OE1 3.23Å; R528-Q538 HydrophobicContact CG-CG 4.28Å; R528-A539 HydrophobicContact CB-CB 4.42Å; R528-A539 HydrophobicContact CG-CB 3.94Å; R528-D619 PolarHBondContact NH2-O 3.44Å
529	V	94.6	Very high	89.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.7	-51.5	174.2	172.1	0	0	0	0	111.6	N525 A526 A527 R532 Q533 C559 E563 L566	N525-V529 WeakPolarHBondContact O-CG2 3.49Å; N525-V529 PolarHBondContact O-N 3.03Å; N525-V529 VanDerWaalsContact O-N 3.09Å; A526-V529 PolarHBondContact O-N 2.9Å; A527-V529 PolarHBondContact O-N 3.05Å; V529-R532 PolarHBondContact O-N 2.86Å; V529-Q533 WeakPolarHBondContact O-CB 3.42Å; V529-Q533 PolarHBondContact O-N 2.73Å; V529-C559 HydrophobicContact CG2-CB 4.08Å; V529-E563 HydrophobicContact CG1-CB 3.91Å; V529-E563 HydrophobicContact CG2-CB 3.83Å; V529-E563 WeakPolarHBondContact CG2-OE2 3.3Å; V529-L566 HydrophobicContact CG1-CB 4.48Å; V529-L566 HydrophobicContact CG1-CD1 4.41Å
530	V	94.6	Very high	89.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.8	-34.9	-177.2	72.6	0	0	0	0	112.8	A493 V506 W522 A526 A527 Q533 L534 L566 V587	A493-V530 HydrophobicContact CB-CG2 4.02Å; V506-V530 HydrophobicContact CG1-CG2 4.17Å; V506-V530 HydrophobicContact CG2-CG1 4.27Å; W522-V530 HydrophobicContact CH2-CG1 4.1Å; W522-V530 HydrophobicContact CZ2-CG1 4.09Å; A526-V530 PolarHBondContact O-N 2.76Å; A526-V530 VanDerWaalsContact O-N 3.09Å; A527-V530 WeakPolarHBondContact O-CG1 3.34Å; A527-V530 PolarHBondContact O-N 3.36Å; V530-Q533 PolarHBondContact O-N 3.2Å; V530-L534 HydrophobicContact CG2-CD1 4.12Å; V530-L534 HydrophobicContact CG2-CG 4.43Å; V530-L534 WeakPolarHBondContact O-CB 3.15Å; V530-L534 WeakPolarHBondContact O-CD1 3.33Å; V530-L534 WeakPolarHBondContact O-CG 3.35Å; V530-L534 PolarHBondContact O-N 2.62Å; V530-L566 HydrophobicContact CB-CD1 4.49Å; V530-L566 HydrophobicContact CB-CD2 4.48Å; V530-L566 HydrophobicContact CG2-CD2 4.47Å; V530-V587 HydrophobicContact CG1-CG1 3.8Å; V530-V587 HydrophobicContact CG1-CG2 4.32Å
531	C	91.8	Very high	88.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-44.3	173.9	-74.4	0	0	0	0	111.5	A527 L534 G535 Y536 A539 C589	A527-C531 WeakPolarHBondContact O-CB 3.09Å; A527-C531 PolarHBondContact O-N 2.88Å; A527-C531 PolarHBondContact O-SG 3.35Å; A527-C531 VanDerWaalsContact O-SG 3.41Å; C531-L534 CarbonylContact O-C 3.59Å; C531-L534 PolarHBondContact O-N 3.37Å; C531-L534 VanDerWaalsContact O-N 3.15Å; C531-G535 PolarHBondContact O-N 3.45Å; C531-Y536 WeakPolarHBondContact O-CB 3.43Å; C531-Y536 PolarHBondContact O-N 3.38Å; C531-A539 HydrophobicContact CB-CB 4.05Å; C531-A539 VanDerWaalsContact SG-CB 3.56Å; C531-C589 VanDerWaalsContact CA-SG 3.53Å; C531-C589 HydrophobicContact CB-CB 3.76Å; C531-C589 WeakPolarHBondContact CB-SG 3.47Å; C531-C589 WeakPolarHBondContact SG-CA 3.35Å; C531-C589 WeakPolarHBondContact SG-CB 3.37Å; C531-C589 CovalentContact SG-SG 2.04Å; C531-C589 PolarHBondContact SG-SG 2.79Å
532	R	91.8	Very high	89.1	Confident	91 Å²	91	37.1 Å²	37.1	34%	0.343	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-42.1	174.1	-175	168.5	59.8	-129.2	-0.2	112.3	R528 V529 L534 G535 Y536 G561 N562 E563	R528-R532 VanDerWaalsContact O-CB 3.3Å; R528-R532 WeakPolarHBondContact O-CB 3.47Å; R528-R532 PolarHBondContact O-N 2.86Å; V529-R532 PolarHBondContact O-N 2.86Å; R532-L534 PolarHBondContact O-N 2.84Å; R532-G535 PolarHBondContact O-N 3.08Å; R532-G535 VanDerWaalsContact O-N 3.07Å; R532-Y536 WeakPolarHBondContact CA-O 3.38Å; R532-G561 PolarHBondContact NH1-O 3.17Å; R532-G561 PolarHBondContact NH2-O 2.89Å; R532-N562 VanDerWaalsContact NH2-C 3.35Å; R532-E563 PolarHBondContact NH2-O 3.19Å
533	Q	92.1	Very high	88.8	Confident	40 Å²	40	39.6 Å²	39.6	19%	0.187	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-33.4	172.6	173.1	176.7	-3.9	0	0	112.6	V529 V530 G535 Y565	V529-Q533 WeakPolarHBondContact O-CB 3.42Å; V529-Q533 PolarHBondContact O-N 2.73Å; V530-Q533 PolarHBondContact O-N 3.2Å; Q533-G535 VanDerWaalsContact C-N 3.32Å; Q533-Y565 HydrophobicContact CG-CD1 3.82Å; Q533-Y565 HydrophobicContact CG-CE1 4.45Å
534	L	89.9	Confident	88.8	Confident	54 Å²	54	42.4 Å²	42.4	28%	0.283	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.6	178.1	-70.4	168.6	0	0	0	113.9	A493 L495 V530 C531 R532 Y536	A493-L534 WeakPolarHBondContact O-CD2 3.42Å; L495-L534 HydrophobicContact CD1-CD1 4.11Å; L495-L534 HydrophobicContact CD2-CD1 3.75Å; L495-L534 HydrophobicContact CG-CD1 3.67Å; V530-L534 HydrophobicContact CG2-CD1 4.12Å; V530-L534 HydrophobicContact CG2-CG 4.43Å; V530-L534 WeakPolarHBondContact O-CB 3.15Å; V530-L534 WeakPolarHBondContact O-CD1 3.33Å; V530-L534 WeakPolarHBondContact O-CG 3.35Å; V530-L534 PolarHBondContact O-N 2.62Å; C531-L534 CarbonylContact O-C 3.59Å; C531-L534 PolarHBondContact O-N 3.37Å; C531-L534 VanDerWaalsContact O-N 3.15Å; R532-L534 PolarHBondContact O-N 2.84Å; L534-Y536 HydrophobicContact CB-CD2 3.84Å; L534-Y536 HydrophobicContact CB-CE2 4.01Å
535	G	83.8	Confident	88.3	Confident	68 Å²	68	42.7 Å²	42.7	70%	0.701	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.4	13	179.2	0	0	0	0	0	115.2	C531 R532 Q533	C531-G535 PolarHBondContact O-N 3.45Å; R532-G535 PolarHBondContact O-N 3.08Å; R532-G535 VanDerWaalsContact O-N 3.07Å; Q533-G535 VanDerWaalsContact C-N 3.32Å
536	Y	83.5	Confident	87.9	Confident	47 Å²	47	42.3 Å²	42.3	18%	0.184	23%	0.229	C	C	.	.			trans	-89.9	146.7	171.8	-61.5	-69.8	0	0	0	111	P501 W502 C531 R532 L534 Q538 C589 A590 V591	P501-Y536 VanDerWaalsContact C-OH 3.24Å; P501-Y536 PolarHBondContact O-OH 3Å; W502-Y536 WeakPolarHBondContact CA-OH 3Å; W502-Y536 HydrophobicContact CB-CD1 4.16Å; W502-Y536 HydrophobicContact CB-CE1 3.55Å; W502-Y536 HydrophobicContact CB-CE2 4.17Å; W502-Y536 PolarHBondContact N-OH 2.92Å; C531-Y536 WeakPolarHBondContact O-CB 3.43Å; C531-Y536 PolarHBondContact O-N 3.38Å; R532-Y536 WeakPolarHBondContact CA-O 3.38Å; L534-Y536 HydrophobicContact CB-CD2 3.84Å; L534-Y536 HydrophobicContact CB-CE2 4.01Å; Y536-Q538 VanDerWaalsContact C-N 3.34Å; Y536-Q538 PolarHBondContact O-N 2.66Å; Y536-C589 HydrophobicContact CD1-CB 4.17Å; Y536-C589 HydrophobicContact CD2-CB 3.49Å; Y536-C589 VanDerWaalsContact CD2-CB 3.49Å; Y536-C589 VanDerWaalsContact CD2-SG 3.55Å; Y536-C589 HydrophobicContact CE2-CB 4.17Å; Y536-C589 HydrophobicContact CG-CB 3.49Å; Y536-C589 VanDerWaalsContact CG-CB 3.49Å; Y536-A590 WeakPolarHBondContact CD1-O 3.47Å; Y536-V591 HydrophobicContact CD1-CG1 4.04Å; Y536-V591 HydrophobicContact CE1-CG1 4.02Å
537	P	76.9	Confident	87.4	Confident	67 Å²	67	46.6 Å²	46.6	44%	0.435	26%	0.255	S	S	.	.	S	Bend	trans	-60.7	-38.9	-178.3	23.2	-35.3	0	0	0	113.5	A590 T592	P537-A590 WeakPolarHBondContact CD-O 3.2Å; P537-A590 HydrophobicContact CG-CB 4.12Å; P537-T592 HydrophobicContact CG-CG2 4.36Å
538	Q	84.3	Confident	87	Confident	34 Å²	34	47 Å²	47	16%	0.159	26%	0.257	C	S	.	.			trans	-157.5	172.9	179	-161.9	55	-61.4	0	0	112.2	R528 Y536 A590	R528-Q538 VanDerWaalsContact CB-OE1 3.23Å; R528-Q538 HydrophobicContact CG-CG 4.28Å; Y536-Q538 VanDerWaalsContact C-N 3.34Å; Y536-Q538 PolarHBondContact O-N 2.66Å; Q538-A590 HydrophobicContact CB-CB 4.43Å; Q538-A590 PolarHBondContact O-N 3.35Å
539	A	85.8	Confident	86.1	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	134.9	164.4	0	0	0	0	0	112	I524 A527 R528 C531	I524-A539 HydrophobicContact CD1-CB 4.24Å; A527-A539 VanDerWaalsContact C-CB 3.41Å; A527-A539 HydrophobicContact CB-CB 3.66Å; R528-A539 HydrophobicContact CB-CB 4.42Å; R528-A539 HydrophobicContact CG-CB 3.94Å; C531-A539 HydrophobicContact CB-CB 4.05Å; C531-A539 VanDerWaalsContact SG-CB 3.56Å
540	L	81.4	Confident	85.2	Confident	38 Å²	38	56.4 Å²	56.4	20%	0.199	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-29.6	171.8	-62.8	174.6	0	0	0	112.3	Q588 A590 I609	L540-Q588 PolarHBondContact N-O 2.81Å; L540-A590 HydrophobicContact CD1-CB 4.33Å; L540-A590 HydrophobicContact CD2-CB 3.91Å; L540-A590 HydrophobicContact CG-CB 3.87Å; L540-I609 HydrophobicContact CD2-CG2 4.1Å
541	R	85.1	Confident	84.8	Confident	94 Å²	94	60.3 Å²	60.3	36%	0.355	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	144.9	178.5	-66.5	-173.2	157.6	-171.6	-10.6	112.4	V587 Q588	R541-V587 CarbonylContact O-C 3.51Å; R541-V587 VanDerWaalsContact O-CA 3.25Å; R541-V587 WeakPolarHBondContact O-CA 3.38Å; R541-Q588 HydrophobicContact CB-CB 4.06Å; R541-Q588 PolarHBondContact N-O 2.04Å; R541-Q588 VanDerWaalsContact N-O 3.11Å; R541-Q588 PolarHBondContact O-N 2.97Å
542	S	90	Very high	84.8	Confident	40 Å²	40	60.4 Å²	60.4	28%	0.28	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.6	154.2	52.5	0	0	0	0	110.2	I524	I524-S542 PolarHBondContact N-OG 2.8Å
543	W	86.3	Confident	84.7	Confident	65 Å²	65	57.5 Å²	57.5	25%	0.246	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.5	173.5	-62.7	-23.9	0	0	0	111	E503 M546 A585 G586 Q588	E503-W543 HydrophobicContact CG-CH2 3.24Å; E503-W543 HydrophobicContact CG-CZ2 4.11Å; E503-W543 HydrophobicContact CG-CZ3 3.74Å; W543-M546 HydrophobicContact CB-SD 4.49Å; W543-M546 HydrophobicContact CE3-CE 4.11Å; W543-M546 HydrophobicContact CE3-SD 3.87Å; W543-M546 HydrophobicContact CZ3-CE 4.29Å; W543-A585 WeakPolarHBondContact O-CA 3Å; W543-G586 PolarHBondContact N-O 2.97Å; W543-G586 PolarHBondContact O-N 2.85Å; W543-Q588 HydrophobicContact CZ2-CB 4.37Å
544	I	88	Confident	84.7	Confident	118 Å²	118	55.6 Å²	55.6	61%	0.605	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.3	173.5	67.5	176.6	0	0	0	107.8	D519	D519-I544 HydrophobicContact CB-CB 3.75Å; D519-I544 HydrophobicContact CB-CG2 3.85Å; D519-I544 WeakPolarHBondContact OD2-CB 3.3Å
545	G	81.5	Confident	84.9	Confident	41 Å²	41	53.3 Å²	53.3	42%	0.423	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.4	12.2	172	0	0	0	0	0	115.8	D519 N582	D519-G545 PolarHBondContact OD2-N 3.49Å; G545-N582 CarbonylContact C-O 3.6Å; G545-N582 WeakPolarHBondContact CA-O 3.05Å
546	M	84.1	Confident	85.4	Confident	44 Å²	44	52.7 Å²	52.7	22%	0.217	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	143.7	-174.6	-57.9	-167.2	76.6	0	0	112.2	K505 W543 N548 N582 A584 G586	K505-M546 VanDerWaalsContact CA-SD 3.53Å; K505-M546 HydrophobicContact CB-CE 3.87Å; K505-M546 HydrophobicContact CB-SD 3.74Å; K505-M546 HydrophobicContact CG-CB 4.32Å; K505-M546 HydrophobicContact CG-SD 4.17Å; W543-M546 HydrophobicContact CB-SD 4.49Å; W543-M546 HydrophobicContact CE3-CE 4.11Å; W543-M546 HydrophobicContact CE3-SD 3.87Å; W543-M546 HydrophobicContact CZ3-CE 4.29Å; M546-N548 PolarHBondContact O-N 3.22Å; M546-N582 CarbonylContact O-C 3.46Å; M546-N582 WeakPolarHBondContact O-CA 3.39Å; M546-A584 HydrophobicContact CB-CB 4.07Å; M546-A584 VanDerWaalsContact CB-O 3.22Å; M546-A584 WeakPolarHBondContact CB-O 3.24Å; M546-A584 WeakPolarHBondContact CG-O 3.21Å; M546-A584 PolarHBondContact N-O 2.82Å; M546-A584 VanDerWaalsContact O-CB 3.25Å; M546-A584 WeakPolarHBondContact O-CB 3.43Å; M546-A584 PolarHBondContact O-N 3.14Å; M546-G586 VanDerWaalsContact SD-CA 3.55Å
547	T	84.2	Confident	85.9	Confident	90 Å²	90	50.5 Å²	50.5	55%	0.552	27%	0.274	S	S	*	.			trans	-72.2	129.4	179.9	-53.7	0	0	0	0	112.2	P581 N582	T547-P581 CarbonylContact C-O 3.51Å; T547-P581 VanDerWaalsContact CA-O 3.3Å; T547-P581 WeakPolarHBondContact CA-O 3.36Å; T547-N582 PolarHBondContact OG1-OD1 2.82Å
548	N	84.3	Confident	86.6	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.043	28%	0.275	C	S	.	.			trans	-148	140.2	177.9	-174.4	66	0	0	0	110.5	K505 A516 M546 K550 N551 Y552 P581 A584	K505-N548 HydrophobicContact CD-CB 4.28Å; K505-N548 PolarHBondContact NZ-OD1 2.77Å; A516-N548 HydrophobicContact CB-CB 4.25Å; A516-N548 VanDerWaalsContact CB-CG 3.43Å; A516-N548 WeakPolarHBondContact CB-ND2 3.43Å; A516-N548 WeakPolarHBondContact CB-OD1 3.24Å; M546-N548 PolarHBondContact O-N 3.22Å; N548-K550 PolarHBondContact O-N 2.79Å; N548-N551 PolarHBondContact ND2-N 2.98Å; N548-N551 PolarHBondContact ND2-O 2.81Å; N548-Y552 HydrophobicContact CB-CE1 4.2Å; N548-P581 PolarHBondContact N-O 3.25Å; N548-P581 CarbonylContact O-C 3.46Å; N548-P581 VanDerWaalsContact O-CA 3.27Å; N548-P581 WeakPolarHBondContact O-CA 3.47Å; N548-P581 VanDerWaalsContact O-O 3.09Å; N548-A584 HydrophobicContact CB-CB 3.7Å
549	P	74.5	Confident	87.1	Confident	114 Å²	114	51.1 Å²	51.1	74%	0.74	27%	0.271	S	S	*	.			trans	-78.4	53.9	-175.5	33.4	-37.5	0	0	0	113.3	N551	P549-N551 PolarHBondContact O-N 3.24Å
550	K	74.8	Confident	87.3	Confident	129 Å²	129	55.6 Å²	55.6	56%	0.561	30%	0.299	S	S	*	.	S	Bend	trans	55.6	13.9	178.2	-66.4	-163.4	172.2	-156.6	0	117.4	N548 P581	N548-K550 PolarHBondContact O-N 2.79Å; K550-P581 HydrophobicContact CD-CG 4.48Å; K550-P581 HydrophobicContact CG-CG 4.06Å
551	N	86.3	Confident	87.5	Confident	82 Å²	82	54.2 Å²	54.2	44%	0.439	29%	0.293	S	S	.	.			trans	-95.5	103.3	173.2	-176.9	19.8	0	0	0	110.1	W514 A515 A516 N548 P549	W514-N551 PolarHBondContact O-ND2 3.19Å; W514-N551 VanDerWaalsContact O-ND2 3.16Å; A515-N551 WeakPolarHBondContact CB-OD1 3.42Å; A516-N551 PolarHBondContact N-O 3.46Å; N548-N551 PolarHBondContact ND2-N 2.98Å; N548-N551 PolarHBondContact ND2-O 2.81Å; P549-N551 PolarHBondContact O-N 3.24Å
552	Y	91.3	Very high	87.6	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144	178.7	-60.5	-84.8	0	0	0	111.2	A516 C518 N548 H577 C579 G580 E583 A584	A516-Y552 HydrophobicContact CB-CD1 3.65Å; A516-Y552 HydrophobicContact CB-CE1 3.78Å; A516-Y552 CarbonylContact O-C 3.47Å; A516-Y552 VanDerWaalsContact O-CA 3.3Å; A516-Y552 WeakPolarHBondContact O-CA 3.4Å; C518-Y552 HydrophobicContact CB-CD1 4.21Å; N548-Y552 HydrophobicContact CB-CE1 4.2Å; Y552-H577 AromaticContact CD2-CE1 3.66Å; Y552-H577 AromaticContact CD2-ND1 3.68Å; Y552-C579 HydrophobicContact CD2-CB 3.97Å; Y552-C579 HydrophobicContact CE2-CB 3.75Å; Y552-C579 WeakPolarHBondContact CE2-O 3.48Å; Y552-C579 HydrophobicContact CG-CB 4.44Å; Y552-G580 VanDerWaalsContact CE2-O 3.28Å; Y552-G580 WeakPolarHBondContact CE2-O 3.43Å; Y552-G580 PolarHBondContact OH-O 2.87Å; Y552-E583 WeakPolarHBondContact CE1-O 3.44Å; Y552-E583 VanDerWaalsContact OH-C 3.26Å; Y552-E583 PolarHBondContact OH-N 2.83Å; Y552-E583 PolarHBondContact OH-O 3.5Å; Y552-A584 HydrophobicContact CE1-CB 3.7Å
553	L	90.3	Very high	87.7	Confident	29 Å²	29	55.7 Å²	55.7	15%	0.152	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	-21	178.7	-94.1	171.5	0	0	0	114	V508 I510 A515 A516 W574 G575	V508-L553 HydrophobicContact CG2-CB 3.73Å; V508-L553 HydrophobicContact CG2-CD1 4.24Å; I510-L553 HydrophobicContact CG2-CD1 4.4Å; I510-L553 HydrophobicContact CG2-CD2 4.27Å; A515-L553 HydrophobicContact CB-CB 3.89Å; A515-L553 HydrophobicContact CB-CD1 3.67Å; A515-L553 HydrophobicContact CB-CG 3.53Å; A516-L553 PolarHBondContact O-N 2.77Å; L553-W574 HydrophobicContact CB-CE3 4.47Å; L553-W574 HydrophobicContact CD2-CE3 4.4Å; L553-W574 WeakPolarHBondContact O-CA 3.47Å; L553-G575 PolarHBondContact O-N 2.78Å
554	M	93.1	Very high	87.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143	-178.4	-63	177.1	68.5	0	0	109.5	F491 V508 V517 C518 V557 L566 F571 W574	F491-M554 HydrophobicContact CE2-SD 3.99Å; F491-M554 HydrophobicContact CZ-SD 4.11Å; V508-M554 HydrophobicContact CG1-SD 4.14Å; V508-M554 HydrophobicContact CG2-CG 4.2Å; V508-M554 HydrophobicContact CG2-SD 4.08Å; V517-M554 HydrophobicContact CG1-CB 4.15Å; V517-M554 HydrophobicContact CG2-CB 4.32Å; V517-M554 HydrophobicContact CG2-SD 4.47Å; C518-M554 PolarHBondContact N-O 3.04Å; M554-V557 HydrophobicContact CB-CG2 3.89Å; M554-V557 HydrophobicContact CE-CG1 4.49Å; M554-V557 HydrophobicContact CE-CG2 4.14Å; M554-L566 HydrophobicContact CE-CG 4.25Å; M554-L566 HydrophobicContact SD-CD2 4.47Å; M554-F571 HydrophobicContact CB-CD2 4.15Å; M554-F571 HydrophobicContact CE-CB 4.28Å; M554-F571 HydrophobicContact CE-CD1 3.96Å; M554-F571 HydrophobicContact CE-CD2 4.13Å; M554-F571 HydrophobicContact CE-CE1 4.29Å; M554-F571 HydrophobicContact CE-CE2 4.43Å; M554-F571 HydrophobicContact CE-CG 3.89Å; M554-F571 HydrophobicContact CG-CD2 4.01Å; M554-F571 HydrophobicContact CG-CE2 4.07Å; M554-W574 HydrophobicContact CG-CE3 4Å; M554-W574 HydrophobicContact CG-CH2 4.24Å; M554-W574 HydrophobicContact CG-CZ3 3.51Å; M554-W574 HydrophobicContact SD-CH2 3.99Å; M554-W574 HydrophobicContact SD-CZ3 3.77Å
555	D	93.8	Very high	87.7	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.032	32%	0.316	C	S	.	.			trans	-147.2	159.2	-176.2	-161.1	-3.1	0	0	0	110	C518 V557 F571 S572 K576 H577 D578 C579	C518-D555 HydrophobicContact CB-CB 4.22Å; C518-D555 WeakPolarHBondContact CB-OD1 3.46Å; D555-V557 VanDerWaalsContact C-N 3.27Å; D555-V557 PolarHBondContact O-N 3.22Å; D555-F571 CarbonylContact O-C 3.57Å; D555-F571 WeakPolarHBondContact O-CA 3.21Å; D555-F571 VanDerWaalsContact O-CB 3.26Å; D555-F571 WeakPolarHBondContact O-CB 3.38Å; D555-S572 PolarHBondContact O-N 3.28Å; D555-K576 WeakPolarHBondContact CB-O 3.26Å; D555-H577 HydrophobicContact CB-CB 3.86Å; D555-H577 WeakPolarHBondContact OD2-CA 3.18Å; D555-H577 WeakPolarHBondContact OD2-CB 3.44Å; D555-D578 PolarHBondContact OD2-N 3.15Å; D555-C579 VanDerWaalsContact CG-SG 3.59Å; D555-C579 PolarHBondContact OD2-SG 2.83Å
556	D	93.8	Very high	88.2	Confident	56 Å²	56	58.7 Å²	58.7	30%	0.299	30%	0.296	S	S	.	.	S	Bend	trans	57.9	32.4	-175.7	-96.5	-60.1	0	0	0	113.9	D520 K558 S572	D520-D556 WeakPolarHBondContact O-CA 3.18Å; D520-D556 PolarHBondContact O-N 3.44Å; D556-K558 WeakPolarHBondContact O-CG 3.38Å; D556-K558 PolarHBondContact O-N 2.03Å; D556-K558 IonicContact OD1-NZ 3.41Å; D556-K558 PolarHBondContact OD1-NZ 2.98Å; D556-S572 WeakPolarHBondContact CB-OG 3.39Å; D556-S572 PolarHBondContact OD2-OG 3.13Å
557	V	94.1	Very high	88.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.301	C	S	.	.			trans	-71.3	106.7	-166.1	-175.9	0	0	0	0	112.2	V517 D520 G521 W522 A526 M554 D555 L566 C569 R570 F571	V517-V557 HydrophobicContact CG1-CB 4.42Å; V517-V557 HydrophobicContact CG1-CG2 3.62Å; D520-V557 PolarHBondContact O-N 3.07Å; G521-V557 CarbonylContact C-O 3.56Å; W522-V557 HydrophobicContact CE3-CB 4.14Å; W522-V557 HydrophobicContact CE3-CG1 4.32Å; W522-V557 HydrophobicContact CZ3-CB 4.32Å; W522-V557 HydrophobicContact CZ3-CG1 4.07Å; A526-V557 HydrophobicContact CB-CG1 4.49Å; M554-V557 HydrophobicContact CB-CG2 3.89Å; M554-V557 HydrophobicContact CE-CG1 4.49Å; M554-V557 HydrophobicContact CE-CG2 4.14Å; D555-V557 VanDerWaalsContact C-N 3.27Å; D555-V557 PolarHBondContact O-N 3.22Å; V557-L566 HydrophobicContact CG1-CD1 3.98Å; V557-L566 HydrophobicContact CG1-CG 4.38Å; V557-C569 HydrophobicContact CG1-CB 4.22Å; V557-R570 WeakPolarHBondContact CA-O 3.45Å; V557-F571 HydrophobicContact CG2-CB 4.06Å
558	K	91.9	Very high	88.8	Confident	103 Å²	103	59.9 Å²	59.9	45%	0.448	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-117.3	106.1	-175.6	-71.9	156.2	-166.1	161	0	110.3	D556 R570	D556-K558 WeakPolarHBondContact O-CG 3.38Å; D556-K558 PolarHBondContact O-N 2.03Å; D556-K558 IonicContact OD1-NZ 3.41Å; D556-K558 PolarHBondContact OD1-NZ 2.98Å; K558-R570 PolarHBondContact N-O 2.92Å; K558-R570 PolarHBondContact O-N 3.33Å
559	C	93.7	Very high	89.2	Confident	12 Å²	12	59.8 Å²	59.8	8%	0.081	30%	0.297	C	S	.	.			trans	-106.7	147.5	177.8	-57	0	0	0	0	111.6	A526 V529 G561 C569	A526-C559 VanDerWaalsContact CA-SG 3.55Å; A526-C559 HydrophobicContact CB-CB 4.23Å; V529-C559 HydrophobicContact CG2-CB 4.08Å; C559-G561 VanDerWaalsContact C-N 3.35Å; C559-C569 HydrophobicContact CB-CB 3.98Å; C559-C569 WeakPolarHBondContact CB-SG 3.27Å; C559-C569 WeakPolarHBondContact SG-CB 3.36Å; C559-C569 CovalentContact SG-SG 2.03Å; C559-C569 PolarHBondContact SG-SG 3.42Å
560	T	90.4	Very high	90.1	Very high	96 Å²	96	64.1 Å²	64.1	59%	0.589	30%	0.298	S	S	*	.			trans	-75.4	-24.6	168.1	63.2	0	0	0	0	112.5	N562 E563	T560-N562 PolarHBondContact OG1-N 3.28Å; T560-E563 WeakPolarHBondContact CB-OE1 3.46Å; T560-E563 WeakPolarHBondContact CG2-OE1 3.46Å; T560-E563 PolarHBondContact N-OE1 2.75Å; T560-E563 PolarHBondContact N-OE2 3.32Å; T560-E563 PolarHBondContact OG1-OE1 3.13Å; T560-E563 PolarHBondContact OG1-OE2 3.1Å; T560-E563 VanDerWaalsContact OG1-OE2 3.11Å
561	G	86.9	Confident	91	Very high	8 Å²	8	60.2 Å²	60.2	8%	0.082	28%	0.281	C	S	.	.	S	Bend	trans	101.3	-7.5	-175.9	0	0	0	0	0	113.6	R532 C559 E563	R532-G561 PolarHBondContact NH1-O 3.17Å; R532-G561 PolarHBondContact NH2-O 2.89Å; C559-G561 VanDerWaalsContact C-N 3.35Å; G561-E563 PolarHBondContact N-OE2 3.31Å
562	N	86.6	Confident	91	Very high	140 Å²	140	59 Å²	59	75%	0.749	28%	0.279	S	S	*	.			trans	-102.8	-8	-177.9	-69.6	-31.7	0	0	0	113.7	R532 T560	R532-N562 VanDerWaalsContact NH2-C 3.35Å; T560-N562 PolarHBondContact OG1-N 3.28Å
563	E	91.3	Very high	90.7	Very high	26 Å²	26	59.8 Å²	59.8	12%	0.121	29%	0.288	C	S	.	.			trans	-61.4	145.9	178.8	-61.8	80.3	-175.9	0	0	112	V529 R532 T560 G561 E568	V529-E563 HydrophobicContact CG1-CB 3.91Å; V529-E563 HydrophobicContact CG2-CB 3.83Å; V529-E563 WeakPolarHBondContact CG2-OE2 3.3Å; R532-E563 PolarHBondContact NH2-O 3.19Å; T560-E563 WeakPolarHBondContact CB-OE1 3.46Å; T560-E563 WeakPolarHBondContact CG2-OE1 3.46Å; T560-E563 PolarHBondContact N-OE1 2.75Å; T560-E563 PolarHBondContact N-OE2 3.32Å; T560-E563 PolarHBondContact OG1-OE1 3.13Å; T560-E563 PolarHBondContact OG1-OE2 3.1Å; T560-E563 VanDerWaalsContact OG1-OE2 3.11Å; G561-E563 PolarHBondContact N-OE2 3.31Å; E563-E568 HydrophobicContact CB-CB 4.12Å; E563-E568 HydrophobicContact CG-CB 4.11Å
564	R	84.6	Confident	90.5	Very high	189 Å²	189	63.1 Å²	63.1	71%	0.713	30%	0.299	S	S	*	.	S	Bend	trans	-81.8	-31.8	176.4	-66.4	-176.5	175	-166.9	-1	112.2	E568	R564-E568 WeakPolarHBondContact CA-OE2 3.09Å; R564-E568 WeakPolarHBondContact CB-OE2 3.44Å; R564-E568 PolarHBondContact N-OE2 3.07Å
565	Y	89.9	Confident	90	Very high	97 Å²	97	65 Å²	65	38%	0.38	32%	0.319	S	S	.	.	S	Bend	trans	-136.6	147.3	-178.9	-55	-81.2	0	0	0	111	Q533 N567 E568	Q533-Y565 HydrophobicContact CG-CD1 3.82Å; Q533-Y565 HydrophobicContact CG-CE1 4.45Å; Y565-N567 WeakPolarHBondContact CB-OD1 3.36Å; Y565-N567 PolarHBondContact O-N 3.27Å; Y565-N567 VanDerWaalsContact O-N 3.13Å; Y565-E568 WeakPolarHBondContact CD2-OE1 3.06Å; Y565-E568 PolarHBondContact N-OE2 3.34Å; Y565-E568 WeakPolarHBondContact O-CB 3.48Å; Y565-E568 PolarHBondContact O-N 2.69Å
566	L	91.9	Very high	89.7	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-61.4	-25.3	-177.4	-167.1	68.8	0	0	0	113.3	F491 V506 V508 V517 W522 A526 V529 V530 M554 V557 E568 C569	F491-L566 HydrophobicContact CE1-CB 4.01Å; F491-L566 HydrophobicContact CZ-CB 3.98Å; V506-L566 HydrophobicContact CG1-CD2 4.27Å; V508-L566 HydrophobicContact CG1-CD2 4.16Å; V517-L566 HydrophobicContact CG2-CD2 4.08Å; W522-L566 HydrophobicContact CH2-CD1 3.83Å; W522-L566 HydrophobicContact CH2-CD2 3.88Å; W522-L566 HydrophobicContact CZ3-CD1 3.8Å; W522-L566 HydrophobicContact CZ3-CD2 3.92Å; W522-L566 HydrophobicContact CZ3-CG 4.42Å; A526-L566 HydrophobicContact CB-CD1 4.4Å; V529-L566 HydrophobicContact CG1-CB 4.48Å; V529-L566 HydrophobicContact CG1-CD1 4.41Å; V530-L566 HydrophobicContact CB-CD1 4.49Å; V530-L566 HydrophobicContact CB-CD2 4.48Å; V530-L566 HydrophobicContact CG2-CD2 4.47Å; M554-L566 HydrophobicContact CE-CG 4.25Å; M554-L566 HydrophobicContact SD-CD2 4.47Å; V557-L566 HydrophobicContact CG1-CD1 3.98Å; V557-L566 HydrophobicContact CG1-CG 4.38Å; L566-E568 VanDerWaalsContact C-N 3.25Å; L566-E568 PolarHBondContact O-N 3.23Å; L566-C569 WeakPolarHBondContact O-CB 3.19Å; L566-C569 PolarHBondContact O-N 2.93Å
567	N	89.7	Confident	89.6	Confident	60 Å²	60	72.2 Å²	72.2	32%	0.321	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-78.3	-0.8	175.1	73.5	-74.7	0	0	0	114.6	F491 Y565 W574	F491-N567 HydrophobicContact CD1-CB 3.78Å; F491-N567 WeakPolarHBondContact CD1-OD1 3.49Å; F491-N567 HydrophobicContact CD2-CB 3.94Å; F491-N567 HydrophobicContact CE1-CB 3.82Å; F491-N567 WeakPolarHBondContact CE1-OD1 3.39Å; F491-N567 HydrophobicContact CE2-CB 3.99Å; F491-N567 HydrophobicContact CG-CB 3.83Å; F491-N567 WeakPolarHBondContact CG-OD1 3.39Å; F491-N567 HydrophobicContact CZ-CB 3.92Å; Y565-N567 WeakPolarHBondContact CB-OD1 3.36Å; Y565-N567 PolarHBondContact O-N 3.27Å; Y565-N567 VanDerWaalsContact O-N 3.13Å; N567-W574 HydrophobicContact CB-CH2 4.05Å; N567-W574 HydrophobicContact CB-CZ2 4.12Å
568	E	90.9	Very high	89.4	Confident	99 Å²	99	79 Å²	79	46%	0.463	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-90	-16.1	169.3	-60.7	173.1	163.9	0	0	111.7	E563 R564 Y565 L566	E563-E568 HydrophobicContact CB-CB 4.12Å; E563-E568 HydrophobicContact CG-CB 4.11Å; R564-E568 WeakPolarHBondContact CA-OE2 3.09Å; R564-E568 WeakPolarHBondContact CB-OE2 3.44Å; R564-E568 PolarHBondContact N-OE2 3.07Å; Y565-E568 WeakPolarHBondContact CD2-OE1 3.06Å; Y565-E568 PolarHBondContact N-OE2 3.34Å; Y565-E568 WeakPolarHBondContact O-CB 3.48Å; Y565-E568 PolarHBondContact O-N 2.69Å; L566-E568 VanDerWaalsContact C-N 3.25Å; L566-E568 PolarHBondContact O-N 3.23Å
569	C	93.3	Very high	89.3	Confident	7 Å²	7	74.3 Å²	74.3	5%	0.047	36%	0.364	C	S	.	.	S	Bend	trans	-70.6	161.5	173.7	-56.2	0	0	0	0	111.5	V557 C559 L566 F571	V557-C569 HydrophobicContact CG1-CB 4.22Å; C559-C569 HydrophobicContact CB-CB 3.98Å; C559-C569 WeakPolarHBondContact CB-SG 3.27Å; C559-C569 WeakPolarHBondContact SG-CB 3.36Å; C559-C569 CovalentContact SG-SG 2.03Å; C559-C569 PolarHBondContact SG-SG 3.42Å; L566-C569 WeakPolarHBondContact O-CB 3.19Å; L566-C569 PolarHBondContact O-N 2.93Å; C569-F571 WeakPolarHBondContact O-CD1 3.35Å
570	R	93.3	Very high	89	Confident	205 Å²	205	74.1 Å²	74.1	77%	0.774	37%	0.365	S	S	*	.	B	Isolated β-bridge	trans	-76.8	134.8	173.2	-179	176.1	174.7	175.6	-1.6	109.9	V557 K558	V557-R570 WeakPolarHBondContact CA-O 3.45Å; K558-R570 PolarHBondContact N-O 2.92Å; K558-R570 PolarHBondContact O-N 3.33Å
571	F	93.4	Very high	88.7	Confident	46 Å²	46	72.7 Å²	72.7	20%	0.202	36%	0.357	C	S	.	.			trans	-153.3	165.2	178	71	-75.9	0	0	0	110.2	M554 D555 V557 C569 G573 W574	M554-F571 HydrophobicContact CB-CD2 4.15Å; M554-F571 HydrophobicContact CE-CB 4.28Å; M554-F571 HydrophobicContact CE-CD1 3.96Å; M554-F571 HydrophobicContact CE-CD2 4.13Å; M554-F571 HydrophobicContact CE-CE1 4.29Å; M554-F571 HydrophobicContact CE-CE2 4.43Å; M554-F571 HydrophobicContact CE-CG 3.89Å; M554-F571 HydrophobicContact CG-CD2 4.01Å; M554-F571 HydrophobicContact CG-CE2 4.07Å; D555-F571 CarbonylContact O-C 3.57Å; D555-F571 WeakPolarHBondContact O-CA 3.21Å; D555-F571 VanDerWaalsContact O-CB 3.26Å; D555-F571 WeakPolarHBondContact O-CB 3.38Å; V557-F571 HydrophobicContact CG2-CB 4.06Å; C569-F571 WeakPolarHBondContact O-CD1 3.35Å; F571-G573 VanDerWaalsContact CE2-C 3.45Å; F571-G573 PolarHBondContact O-N 3.45Å; F571-W574 AromaticContact CE2-CD2 3.88Å; F571-W574 HydrophobicContact CE2-CD2 3.88Å; F571-W574 HydrophobicContact CE2-CE3 4.07Å; F571-W574 HydrophobicContact CE2-CG 4.23Å; F571-W574 HydrophobicContact CE2-CZ2 4.43Å; F571-W574 HydrophobicContact CE2-CZ3 4.43Å; F571-W574 AromaticContact CZ-CD2 3.89Å; F571-W574 HydrophobicContact CZ-CD2 3.89Å; F571-W574 AromaticContact CZ-CE2 3.58Å; F571-W574 HydrophobicContact CZ-CE3 4.33Å; F571-W574 HydrophobicContact CZ-CG 4.34Å; F571-W574 HydrophobicContact CZ-CH2 4.2Å; F571-W574 AromaticContact CZ-CZ2 3.76Å; F571-W574 HydrophobicContact CZ-CZ2 3.76Å; F571-W574 HydrophobicContact CZ-CZ3 4.48Å; F571-W574 AromaticContact CZ-NE1 3.86Å
572	S	87.2	Confident	88.7	Confident	57 Å²	57	76.5 Å²	76.5	40%	0.399	38%	0.375	S	S	.	.	S	Bend	trans	-75.6	0.9	-172.3	-79.8	0	0	0	0	115.6	D555 D556 K576	D555-S572 PolarHBondContact O-N 3.28Å; D556-S572 WeakPolarHBondContact CB-OG 3.39Å; D556-S572 PolarHBondContact OD2-OG 3.13Å; S572-K576 WeakPolarHBondContact O-CD 3.49Å
573	G	84	Confident	89	Confident	19 Å²	19	73.8 Å²	73.8	20%	0.196	36%	0.358	C	S	.	.			trans	108.1	159.1	175.6	0	0	0	0	0	113.7	F571 G575 K576	F571-G573 VanDerWaalsContact CE2-C 3.45Å; F571-G573 PolarHBondContact O-N 3.45Å; G573-G575 PolarHBondContact O-N 3.31Å; G573-K576 PolarHBondContact O-N 3.06Å
574	W	86	Confident	89	Confident	99 Å²	99	72.6 Å²	72.6	38%	0.375	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	123.9	-172.3	-65.4	112.5	0	0	0	112.8	F491 I510 L553 M554 N567 F571 K576	F491-W574 AromaticContact CD2-CH2 3.6Å; F491-W574 HydrophobicContact CD2-CH2 3.6Å; F491-W574 HydrophobicContact CD2-CZ2 4.46Å; F491-W574 HydrophobicContact CD2-CZ3 4.32Å; F491-W574 AromaticContact CE2-CH2 3.58Å; F491-W574 HydrophobicContact CE2-CH2 3.58Å; F491-W574 HydrophobicContact CE2-CZ3 4.07Å; I510-W574 HydrophobicContact CB-CZ3 4.44Å; I510-W574 HydrophobicContact CD1-CD2 4.2Å; I510-W574 HydrophobicContact CD1-CH2 4.22Å; I510-W574 HydrophobicContact CD1-CZ2 3.64Å; I510-W574 HydrophobicContact CG2-CD2 3.99Å; I510-W574 HydrophobicContact CG2-CE3 3.68Å; I510-W574 HydrophobicContact CG2-CH2 4.37Å; I510-W574 HydrophobicContact CG2-CZ3 3.88Å; L553-W574 HydrophobicContact CB-CE3 4.47Å; L553-W574 HydrophobicContact CD2-CE3 4.4Å; L553-W574 WeakPolarHBondContact O-CA 3.47Å; M554-W574 HydrophobicContact CG-CE3 4Å; M554-W574 HydrophobicContact CG-CH2 4.24Å; M554-W574 HydrophobicContact CG-CZ3 3.51Å; M554-W574 HydrophobicContact SD-CH2 3.99Å; M554-W574 HydrophobicContact SD-CZ3 3.77Å; N567-W574 HydrophobicContact CB-CH2 4.05Å; N567-W574 HydrophobicContact CB-CZ2 4.12Å; F571-W574 AromaticContact CE2-CD2 3.88Å; F571-W574 HydrophobicContact CE2-CD2 3.88Å; F571-W574 HydrophobicContact CE2-CE3 4.07Å; F571-W574 HydrophobicContact CE2-CG 4.23Å; F571-W574 HydrophobicContact CE2-CZ2 4.43Å; F571-W574 HydrophobicContact CE2-CZ3 4.43Å; F571-W574 AromaticContact CZ-CD2 3.89Å; F571-W574 HydrophobicContact CZ-CD2 3.89Å; F571-W574 AromaticContact CZ-CE2 3.58Å; F571-W574 HydrophobicContact CZ-CE3 4.33Å; F571-W574 HydrophobicContact CZ-CG 4.34Å; F571-W574 HydrophobicContact CZ-CH2 4.2Å; F571-W574 AromaticContact CZ-CZ2 3.76Å; F571-W574 HydrophobicContact CZ-CZ2 3.76Å; F571-W574 HydrophobicContact CZ-CZ3 4.48Å; F571-W574 AromaticContact CZ-NE1 3.86Å; W574-K576 PolarHBondContact O-N 2.79Å
575	G	83.4	Confident	89.5	Confident	41 Å²	41	63.6 Å²	63.6	42%	0.423	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	8.8	179.1	0	0	0	0	0	114.8	L553 G573	L553-G575 PolarHBondContact O-N 2.78Å; G573-G575 PolarHBondContact O-N 3.31Å
576	K	88.3	Confident	89.7	Confident	144 Å²	144	59 Å²	59	63%	0.626	30%	0.3	S	S	*	.			trans	-93.4	110.5	172.3	-67.1	-179.7	176.4	-177	0	108.1	D555 S572 G573 W574	D555-K576 WeakPolarHBondContact CB-O 3.26Å; S572-K576 WeakPolarHBondContact O-CD 3.49Å; G573-K576 PolarHBondContact O-N 3.06Å; W574-K576 PolarHBondContact O-N 2.79Å
577	H	90.4	Very high	89.7	Confident	68 Å²	68	59 Å²	59	32%	0.315	30%	0.3	S	S	.	.			trans	-154.3	157.4	177.5	69.8	89.9	0	0	0	111.1	Y552 D555 C579	Y552-H577 AromaticContact CD2-CE1 3.66Å; Y552-H577 AromaticContact CD2-ND1 3.68Å; D555-H577 HydrophobicContact CB-CB 3.86Å; D555-H577 WeakPolarHBondContact OD2-CA 3.18Å; D555-H577 WeakPolarHBondContact OD2-CB 3.44Å; H577-C579 PolarHBondContact ND1-N 2.95Å
578	D	90.1	Very high	89.8	Confident	143 Å²	143	58.2 Å²	58.2	77%	0.765	30%	0.295	S	S	*	.			trans	-110	-0.4	166.8	58.2	-1.1	0	0	0	113.6	D555	D555-D578 PolarHBondContact OD2-N 3.15Å
579	C	89.9	Confident	89.6	Confident	4 Å²	4	53.5 Å²	53.5	3%	0.027	27%	0.273	C	S	.	.			trans	-62.1	137.8	-173.7	-46.7	0	0	0	0	116.3	C518 Y552 D555 H577 E583	C518-C579 HydrophobicContact CB-CB 3.92Å; C518-C579 WeakPolarHBondContact CB-SG 3.26Å; C518-C579 WeakPolarHBondContact SG-CB 3.16Å; C518-C579 CovalentContact SG-SG 2.01Å; C518-C579 PolarHBondContact SG-SG 2.84Å; Y552-C579 HydrophobicContact CD2-CB 3.97Å; Y552-C579 HydrophobicContact CE2-CB 3.75Å; Y552-C579 WeakPolarHBondContact CE2-O 3.48Å; Y552-C579 HydrophobicContact CG-CB 4.44Å; D555-C579 VanDerWaalsContact CG-SG 3.59Å; D555-C579 PolarHBondContact OD2-SG 2.83Å; H577-C579 PolarHBondContact ND1-N 2.95Å; C579-E583 HydrophobicContact CB-CB 3.98Å
580	G	88.2	Confident	88.8	Confident	9 Å²	9	53.2 Å²	53.2	9%	0.093	27%	0.271	C	S	.	.			trans	-94.3	-164.7	179.5	0	0	0	0	0	114.9	Y552 N582 E583	Y552-G580 VanDerWaalsContact CE2-O 3.28Å; Y552-G580 WeakPolarHBondContact CE2-O 3.43Å; Y552-G580 PolarHBondContact OH-O 2.87Å; G580-N582 VanDerWaalsContact C-N 3.33Å; G580-N582 PolarHBondContact O-N 3Å; G580-E583 WeakPolarHBondContact CA-OE2 3.48Å; G580-E583 PolarHBondContact N-OE2 3.18Å
581	P	82.6	Confident	87.6	Confident	65 Å²	65	45.6 Å²	45.6	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.3	-164.2	-18.3	32.9	0	0	0	116.9	T547 N548 K550	T547-P581 CarbonylContact C-O 3.51Å; T547-P581 VanDerWaalsContact CA-O 3.3Å; T547-P581 WeakPolarHBondContact CA-O 3.36Å; N548-P581 PolarHBondContact N-O 3.25Å; N548-P581 CarbonylContact O-C 3.46Å; N548-P581 VanDerWaalsContact O-CA 3.27Å; N548-P581 WeakPolarHBondContact O-CA 3.47Å; N548-P581 VanDerWaalsContact O-O 3.09Å; K550-P581 HydrophobicContact CD-CG 4.48Å; K550-P581 HydrophobicContact CG-CG 4.06Å
582	N	88.4	Confident	86	Confident	89 Å²	89	48.5 Å²	48.5	48%	0.476	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	37.3	-179.8	-58	-64.3	0	0	0	111	G545 M546 T547 G580	G545-N582 CarbonylContact C-O 3.6Å; G545-N582 WeakPolarHBondContact CA-O 3.05Å; M546-N582 CarbonylContact O-C 3.46Å; M546-N582 WeakPolarHBondContact O-CA 3.39Å; T547-N582 PolarHBondContact OG1-OD1 2.82Å; G580-N582 VanDerWaalsContact C-N 3.33Å; G580-N582 PolarHBondContact O-N 3Å
583	E	91.9	Very high	84.5	Confident	83 Å²	83	48.9 Å²	48.9	39%	0.388	26%	0.264	S	S	.	.			trans	-126.2	48	-175.3	-79.6	152.2	159.7	0	0	108.4	C518 D519 Y552 C579 G580	C518-E583 WeakPolarHBondContact CA-O 3.4Å; C518-E583 PolarHBondContact SG-O 2.89Å; C518-E583 VanDerWaalsContact SG-O 3.33Å; D519-E583 VanDerWaalsContact CG-C 3.5Å; D519-E583 PolarHBondContact N-O 2.95Å; D519-E583 WeakPolarHBondContact OD1-CA 3.25Å; D519-E583 WeakPolarHBondContact OD1-CB 3.39Å; D519-E583 VanDerWaalsContact OD1-O 3.12Å; Y552-E583 WeakPolarHBondContact CE1-O 3.44Å; Y552-E583 VanDerWaalsContact OH-C 3.26Å; Y552-E583 PolarHBondContact OH-N 2.83Å; Y552-E583 PolarHBondContact OH-O 3.5Å; C579-E583 HydrophobicContact CB-CB 3.98Å; G580-E583 WeakPolarHBondContact CA-OE2 3.48Å; G580-E583 PolarHBondContact N-OE2 3.18Å
584	A	91.8	Very high	83.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.1	177.3	0	0	0	0	0	112.3	K505 A516 V517 M546 N548 Y552	K505-A584 HydrophobicContact CD-CB 3.92Å; K505-A584 HydrophobicContact CG-CB 4.09Å; A516-A584 HydrophobicContact CB-CB 4.09Å; V517-A584 WeakPolarHBondContact O-CA 3.1Å; M546-A584 HydrophobicContact CB-CB 4.07Å; M546-A584 VanDerWaalsContact CB-O 3.22Å; M546-A584 WeakPolarHBondContact CB-O 3.24Å; M546-A584 WeakPolarHBondContact CG-O 3.21Å; M546-A584 PolarHBondContact N-O 2.82Å; M546-A584 VanDerWaalsContact O-CB 3.25Å; M546-A584 WeakPolarHBondContact O-CB 3.43Å; M546-A584 PolarHBondContact O-N 3.14Å; N548-A584 HydrophobicContact CB-CB 3.7Å; Y552-A584 HydrophobicContact CE1-CB 3.7Å
585	A	94.8	Very high	81.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.3	176.2	0	0	0	0	0	112.8	K505 V506 V517 W522 W543	K505-A585 WeakPolarHBondContact CA-O 3.28Å; K505-A585 WeakPolarHBondContact CG-O 3.33Å; V506-A585 PolarHBondContact N-O 2.99Å; V517-A585 HydrophobicContact CB-CB 4.17Å; V517-A585 HydrophobicContact CG1-CB 4.3Å; V517-A585 PolarHBondContact O-N 2.94Å; W522-A585 HydrophobicContact CB-CB 4.26Å; W522-A585 HydrophobicContact CD2-CB 3.44Å; W522-A585 VanDerWaalsContact CD2-CB 3.44Å; W522-A585 HydrophobicContact CE3-CB 3.89Å; W522-A585 HydrophobicContact CG-CB 3.57Å; W522-A585 HydrophobicContact CZ2-CB 4.29Å; W522-A585 HydrophobicContact CZ3-CB 4.47Å; W543-A585 WeakPolarHBondContact O-CA 3Å
586	G	93.9	Very high	81	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	171.9	170.4	0	0	0	0	0	112.9	G504 W522 W543 M546	G504-G586 CarbonylContact O-C 3.5Å; G504-G586 WeakPolarHBondContact O-CA 3.37Å; W522-G586 PolarHBondContact NE1-O 3.47Å; W543-G586 PolarHBondContact N-O 2.97Å; W543-G586 PolarHBondContact O-N 2.85Å; M546-G586 VanDerWaalsContact SD-CA 3.55Å
587	V	93.4	Very high	79.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.1	175.7	-59.6	0	0	0	0	112.7	L495 E503 G504 V506 W522 A527 V530 R541	L495-V587 HydrophobicContact CD1-CG2 3.92Å; L495-V587 HydrophobicContact CD2-CG2 3.38Å; L495-V587 HydrophobicContact CG-CG2 4.31Å; E503-V587 WeakPolarHBondContact CA-O 3.37Å; G504-V587 PolarHBondContact N-O 3.33Å; G504-V587 PolarHBondContact O-N 2.89Å; V506-V587 HydrophobicContact CG2-CG1 3.89Å; V506-V587 HydrophobicContact CG2-CG2 4.1Å; W522-V587 HydrophobicContact CZ2-CG1 3.74Å; A527-V587 HydrophobicContact CB-CB 4.31Å; A527-V587 HydrophobicContact CB-CG1 3.45Å; A527-V587 VanDerWaalsContact CB-CG1 3.45Å; V530-V587 HydrophobicContact CG1-CG1 3.8Å; V530-V587 HydrophobicContact CG1-CG2 4.32Å; R541-V587 CarbonylContact O-C 3.51Å; R541-V587 VanDerWaalsContact O-CA 3.25Å; R541-V587 WeakPolarHBondContact O-CA 3.38Å
588	Q	89.9	Confident	78.7	Confident	45 Å²	45	57.6 Å²	57.6	21%	0.21	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.2	159.5	-170.6	174.5	51.5	0	0	107.8	E503 L540 R541 W543	E503-Q588 PolarHBondContact OE2-NE2 2.94Å; L540-Q588 PolarHBondContact N-O 2.81Å; R541-Q588 HydrophobicContact CB-CB 4.06Å; R541-Q588 PolarHBondContact N-O 2.04Å; R541-Q588 VanDerWaalsContact N-O 3.11Å; R541-Q588 PolarHBondContact O-N 2.97Å; W543-Q588 HydrophobicContact CZ2-CB 4.37Å
589	C	86.9	Confident	77.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	151.6	179.8	-53.2	0	0	0	0	111.6	W502 C531 Y536	W502-C589 HydrophobicContact CB-CB 4.2Å; W502-C589 PolarHBondContact O-N 3.31Å; C531-C589 VanDerWaalsContact CA-SG 3.53Å; C531-C589 HydrophobicContact CB-CB 3.76Å; C531-C589 WeakPolarHBondContact CB-SG 3.47Å; C531-C589 WeakPolarHBondContact SG-CA 3.35Å; C531-C589 WeakPolarHBondContact SG-CB 3.37Å; C531-C589 CovalentContact SG-SG 2.04Å; C531-C589 PolarHBondContact SG-SG 2.79Å; Y536-C589 HydrophobicContact CD1-CB 4.17Å; Y536-C589 HydrophobicContact CD2-CB 3.49Å; Y536-C589 VanDerWaalsContact CD2-CB 3.49Å; Y536-C589 VanDerWaalsContact CD2-SG 3.55Å; Y536-C589 HydrophobicContact CE2-CB 4.17Å; Y536-C589 HydrophobicContact CG-CB 3.49Å; Y536-C589 VanDerWaalsContact CG-CB 3.49Å
590	A	76.2	Confident	77.5	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.008	32%	0.319	C	S	.	.			trans	-74.7	151.8	174.5	0	0	0	0	0	111.2	Y536 P537 Q538 L540	Y536-A590 WeakPolarHBondContact CD1-O 3.47Å; P537-A590 WeakPolarHBondContact CD-O 3.2Å; P537-A590 HydrophobicContact CG-CB 4.12Å; Q538-A590 HydrophobicContact CB-CB 4.43Å; Q538-A590 PolarHBondContact O-N 3.35Å; L540-A590 HydrophobicContact CD1-CB 4.33Å; L540-A590 HydrophobicContact CD2-CB 3.91Å; L540-A590 HydrophobicContact CG-CB 3.87Å
591	V	70	Confident	77.4	Confident	44 Å²	44	59.6 Å²	59.6	27%	0.267	32%	0.32	S	S	.	.			trans	-129.9	142.1	170.8	-78.7	0	0	0	0	109	W502 Y536 E593	W502-V591 HydrophobicContact CB-CG1 4.23Å; W502-V591 HydrophobicContact CD2-CG1 3.92Å; W502-V591 HydrophobicContact CD2-CG2 4.46Å; W502-V591 HydrophobicContact CE3-CG1 4.02Å; W502-V591 HydrophobicContact CG-CG1 4.03Å; Y536-V591 HydrophobicContact CD1-CG1 4.04Å; Y536-V591 HydrophobicContact CE1-CG1 4.02Å; V591-E593 PolarHBondContact O-N 3.15Å
592	T	58.3	Low	77.6	Confident	108 Å²	108	61.5 Å²	61.5	66%	0.663	32%	0.322	S	S	*	.			trans	-80.9	104.3	178.5	35.1	0	0	0	0	110.4	P537	P537-T592 HydrophobicContact CG-CG2 4.36Å
593	E	56.3	Low	77.5	Confident	64 Å²	64	57.4 Å²	57.4	30%	0.299	30%	0.3	S	S	.	.			trans	-86.8	136.6	171.8	-54.5	-173.5	157.3	0	0	110	V591 E595 C596 L597	V591-E593 PolarHBondContact O-N 3.15Å; E593-E595 VanDerWaalsContact C-N 3.32Å; E593-E595 WeakPolarHBondContact CB-O 3.39Å; E593-C596 WeakPolarHBondContact OE2-CA 3.44Å; E593-L597 PolarHBondContact OE2-N 3.4Å
594	T	53.8	Low	77.2	Confident	136 Å²	136	59.3 Å²	59.3	83%	0.834	32%	0.317	S	S	*	.	S	Bend	trans	-66.5	-38.3	174.3	42.8	0	0	0	0	111.4	K602	T594-K602 PolarHBondContact O-NZ 3.05Å
595	E	59.6	Low	76.6	Confident	167 Å²	167	62.4 Å²	62.4	78%	0.78	34%	0.339	S	S	*	.	S	Bend	trans	-130.3	132.1	169.7	-63.9	-174	157	0	0	108.7	E593	E593-E595 VanDerWaalsContact C-N 3.32Å; E593-E595 WeakPolarHBondContact CB-O 3.39Å
596	C	67.2	Low	75.7	Confident	29 Å²	29	63.4 Å²	63.4	20%	0.196	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-68.6	140.6	176.9	-60.8	0	0	0	0	111.1	E593 K600 K602 C608	E593-C596 WeakPolarHBondContact OE2-CA 3.44Å; C596-K600 HydrophobicContact CB-CB 4.01Å; C596-K602 WeakPolarHBondContact SG-CB 3.31Å; C596-C608 WeakPolarHBondContact CA-SG 3.41Å; C596-C608 HydrophobicContact CB-CB 3.71Å; C596-C608 WeakPolarHBondContact CB-SG 3.47Å; C596-C608 WeakPolarHBondContact SG-CB 3.45Å; C596-C608 CovalentContact SG-SG 2.03Å; C596-C608 PolarHBondContact SG-SG 3.29Å
597	L	64.4	Low	74.7	Confident	102 Å²	102	64 Å²	64	53%	0.534	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-49.8	144.1	170.6	-73	173.5	0	0	0	112	E593 K599 K600	E593-L597 PolarHBondContact OE2-N 3.4Å; L597-K599 PolarHBondContact O-N 2.82Å; L597-K600 HydrophobicContact CB-CG 4.05Å; L597-K600 WeakPolarHBondContact O-CB 3.15Å; L597-K600 PolarHBondContact O-N 2.79Å
598	P	65.3	Low	74.1	Confident	120 Å²	120	64.9 Å²	64.9	78%	0.779	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	132.9	171.1	-25.2	33.8	0	0	0	110.6
599	K	70.5	Confident	73.8	Confident	100 Å²	100	63 Å²	63	44%	0.435	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	22.1	-172.1	-46.5	-175.7	-177.8	-166	0	116.7	L597 F611 H729	L597-K599 PolarHBondContact O-N 2.82Å; K599-F611 VanDerWaalsContact C-CD2 3.49Å; K599-F611 VanDerWaalsContact C-CE2 3.44Å; K599-F611 WeakPolarHBondContact O-CD2 3.34Å; K599-H729 VanDerWaalsContact CE-NE2 3.26Å; K599-H729 WeakPolarHBondContact CE-NE2 3.41Å; K599-H729 PolarHBondContact NZ-CD2 2.54Å; K599-H729 VanDerWaalsContact NZ-CD2 3.27Å; K599-H729 PolarHBondContact NZ-NE2 2.68Å; K599-H729 VanDerWaalsContact NZ-NE2 3.13Å
600	K	83.2	Confident	73.7	Confident	74 Å²	74	64.9 Å²	64.9	32%	0.322	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	152.2	168.6	-62.2	-63.7	-175.5	175.4	0	112.3	C596 L597 C608 I609 D610 F611	C596-K600 HydrophobicContact CB-CB 4.01Å; L597-K600 HydrophobicContact CB-CG 4.05Å; L597-K600 WeakPolarHBondContact O-CB 3.15Å; L597-K600 PolarHBondContact O-N 2.79Å; K600-C608 HydrophobicContact CB-CB 4.3Å; K600-I609 CarbonylContact C-O 3.5Å; K600-I609 WeakPolarHBondContact CA-O 3.35Å; K600-I609 WeakPolarHBondContact CB-O 3.3Å; K600-I609 WeakPolarHBondContact CD-O 3.27Å; K600-D610 IonicContact NZ-OD2 3.32Å; K600-D610 PolarHBondContact NZ-OD2 2.99Å; K600-F611 VanDerWaalsContact O-CZ 3.31Å; K600-F611 WeakPolarHBondContact O-CZ 3.25Å
601	F	86.9	Confident	74.3	Confident	25 Å²	25	66 Å²	66	11%	0.11	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	140.8	168.7	179.2	-111.1	0	0	0	109.7	C608 I609 F611 I614 S625 D626 Y656 I658	F601-C608 CarbonylContact O-C 3.39Å; F601-C608 VanDerWaalsContact O-CA 3.27Å; F601-C608 WeakPolarHBondContact O-CA 3.49Å; F601-I609 HydrophobicContact CB-CG1 4.07Å; F601-I609 HydrophobicContact CD1-CD1 4Å; F601-I609 HydrophobicContact CD1-CG1 3.81Å; F601-I609 HydrophobicContact CG-CG1 4.44Å; F601-I609 PolarHBondContact N-O 3.16Å; F601-I609 PolarHBondContact O-N 3.19Å; F601-F611 HydrophobicContact CB-CD1 3.84Å; F601-F611 HydrophobicContact CB-CE1 3.81Å; F601-F611 HydrophobicContact CD2-CE1 4.25Å; F601-I614 HydrophobicContact CB-CD1 3.97Å; F601-I614 HydrophobicContact CB-CG1 4.36Å; F601-I614 HydrophobicContact CD1-CD1 4.24Å; F601-I614 HydrophobicContact CD1-CG1 4.17Å; F601-I614 HydrophobicContact CD2-CD1 3.56Å; F601-I614 HydrophobicContact CD2-CG1 4.36Å; F601-I614 HydrophobicContact CE2-CD1 4.08Å; F601-I614 HydrophobicContact CG-CD1 3.66Å; F601-I614 HydrophobicContact CG-CG1 4.04Å; F601-S625 WeakPolarHBondContact CZ-O 3.48Å; F601-D626 HydrophobicContact CE1-CB 4.22Å; F601-Y656 HydrophobicContact CE2-CD1 4.17Å; F601-Y656 AromaticContact CE2-CE1 3.96Å; F601-Y656 HydrophobicContact CE2-CE1 3.96Å; F601-Y656 HydrophobicContact CZ-CD1 4.45Å; F601-Y656 AromaticContact CZ-CE1 3.79Å; F601-Y656 HydrophobicContact CZ-CE1 3.79Å; F601-I658 HydrophobicContact CD2-CD1 4.17Å; F601-I658 HydrophobicContact CE2-CD1 4.46Å
602	K	86.4	Confident	75.1	Confident	104 Å²	104	66.5 Å²	66.5	45%	0.452	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.7	176.7	-170.8	165	-176.3	167	0	109.4	T594 C596 G606	T594-K602 PolarHBondContact O-NZ 3.05Å; C596-K602 WeakPolarHBondContact SG-CB 3.31Å; K602-G606 WeakPolarHBondContact CE-O 3.49Å
603	C	87.3	Confident	76.5	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.02	34%	0.339	C	S	.	.			trans	-64.4	157.4	172.7	-57.6	0	0	0	0	111	S605 G606 H607 C621 S625	C603-S605 VanDerWaalsContact C-N 3.26Å; C603-S605 PolarHBondContact O-N 3.46Å; C603-G606 WeakPolarHBondContact O-CA 3.47Å; C603-G606 PolarHBondContact O-N 3.35Å; C603-H607 WeakPolarHBondContact CB-O 3.29Å; C603-H607 PolarHBondContact N-O 3.03Å; C603-C621 HydrophobicContact CB-CB 3.61Å; C603-C621 WeakPolarHBondContact CB-SG 3.29Å; C603-C621 WeakPolarHBondContact SG-CA 3.41Å; C603-C621 WeakPolarHBondContact SG-CB 3.38Å; C603-C621 CovalentContact SG-SG 2.03Å; C603-C621 PolarHBondContact SG-SG 2.75Å; C603-S625 WeakPolarHBondContact CA-OG 3.19Å
604	T	86.1	Confident	78.1	Confident	123 Å²	123	60.6 Å²	60.6	76%	0.755	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-37.7	177	-62.4	0	0	0	0	111.9	G606 D623 S625	T604-G606 PolarHBondContact O-N 3.06Å; T604-D623 PolarHBondContact N-OD2 3.1Å; T604-S625 PolarHBondContact N-OG 2.78Å; T604-S625 WeakPolarHBondContact OG1-CB 3.45Å
605	S	77.2	Confident	79.9	Confident	66 Å²	66	55.5 Å²	55.5	46%	0.462	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-3.8	171.7	55.4	0	0	0	0	114.7	C603 H607 D623	C603-S605 VanDerWaalsContact C-N 3.26Å; C603-S605 PolarHBondContact O-N 3.46Å; S605-H607 PolarHBondContact OG-CE1 2.79Å; S605-H607 PolarHBondContact OG-ND1 2.87Å; S605-D623 WeakPolarHBondContact CB-OD2 3.41Å; S605-D623 PolarHBondContact N-OD2 3.18Å; S605-D623 PolarHBondContact OG-OD2 2.85Å
606	G	77.6	Confident	81.2	Confident	21 Å²	21	49 Å²	49	22%	0.216	27%	0.266	C	S	.	.	S	Bend	trans	93.9	-9.3	166.9	0	0	0	0	0	116.4	K602 C603 T604	K602-G606 WeakPolarHBondContact CE-O 3.49Å; C603-G606 WeakPolarHBondContact O-CA 3.47Å; C603-G606 PolarHBondContact O-N 3.35Å; T604-G606 PolarHBondContact O-N 3.06Å
607	H	71.6	Confident	82.1	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.056	29%	0.286	C	S	.	.			trans	-84.6	174.3	171.7	69.2	-86.6	0	0	0	112	C603 S605 C621	C603-H607 WeakPolarHBondContact CB-O 3.29Å; C603-H607 PolarHBondContact N-O 3.03Å; S605-H607 PolarHBondContact OG-CE1 2.79Å; S605-H607 PolarHBondContact OG-ND1 2.87Å; H607-C621 PolarHBondContact CE1-O 3.01Å
608	C	81.2	Confident	83	Confident	19 Å²	19	50.9 Å²	50.9	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.7	-162.7	-51.8	0	0	0	0	112.1	C596 K600 F601	C596-C608 WeakPolarHBondContact CA-SG 3.41Å; C596-C608 HydrophobicContact CB-CB 3.71Å; C596-C608 WeakPolarHBondContact CB-SG 3.47Å; C596-C608 WeakPolarHBondContact SG-CB 3.45Å; C596-C608 CovalentContact SG-SG 2.03Å; C596-C608 PolarHBondContact SG-SG 3.29Å; K600-C608 HydrophobicContact CB-CB 4.3Å; F601-C608 CarbonylContact O-C 3.39Å; F601-C608 VanDerWaalsContact O-CA 3.27Å; F601-C608 WeakPolarHBondContact O-CA 3.49Å
609	I	83.7	Confident	84	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	165.6	175.5	68.6	171.3	0	0	0	111.1	L540 K600 F601 W613 D620 D626	L540-I609 HydrophobicContact CD2-CG2 4.1Å; K600-I609 CarbonylContact C-O 3.5Å; K600-I609 WeakPolarHBondContact CA-O 3.35Å; K600-I609 WeakPolarHBondContact CB-O 3.3Å; K600-I609 WeakPolarHBondContact CD-O 3.27Å; F601-I609 HydrophobicContact CB-CG1 4.07Å; F601-I609 HydrophobicContact CD1-CD1 4Å; F601-I609 HydrophobicContact CD1-CG1 3.81Å; F601-I609 HydrophobicContact CG-CG1 4.44Å; F601-I609 PolarHBondContact N-O 3.16Å; F601-I609 PolarHBondContact O-N 3.19Å; I609-W613 HydrophobicContact CD1-CB 3.88Å; I609-D620 HydrophobicContact CD1-CB 4.09Å; I609-D620 HydrophobicContact CG2-CB 4.4Å; I609-D626 HydrophobicContact CD1-CB 3.73Å
610	D	85.2	Confident	84.6	Confident	41 Å²	41	43.6 Å²	43.6	22%	0.219	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.4	176.5	-153.5	-112.5	0	0	0	111.3	K600 K612 W613	K600-D610 IonicContact NZ-OD2 3.32Å; K600-D610 PolarHBondContact NZ-OD2 2.99Å; D610-K612 HydrophobicContact CB-CG 4.2Å; D610-K612 VanDerWaalsContact CG-NZ 3.29Å; D610-K612 PolarHBondContact O-N 3.11Å; D610-K612 VanDerWaalsContact OD1-CD 3.26Å; D610-K612 WeakPolarHBondContact OD1-CD 3.2Å; D610-K612 VanDerWaalsContact OD1-CE 3.31Å; D610-K612 WeakPolarHBondContact OD1-CE 3.46Å; D610-K612 WeakPolarHBondContact OD1-CG 3.47Å; D610-K612 IonicContact OD1-NZ 2.81Å; D610-K612 PolarHBondContact OD1-NZ 3.12Å; D610-K612 IonicContact OD2-NZ 2.68Å; D610-W613 VanDerWaalsContact CB-CD1 3.49Å; D610-W613 HydrophobicContact CB-CG 4.47Å; D610-W613 WeakPolarHBondContact O-CB 3.34Å; D610-W613 PolarHBondContact O-N 2.82Å; D610-W613 VanDerWaalsContact O-N 3.08Å
611	F	88.2	Confident	84.6	Confident	24 Å²	24	40.1 Å²	40.1	11%	0.105	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-58.4	-17.4	-176.2	-82	-57.8	0	0	0	115.6	K599 K600 F601 W613 I614 I658 P699 W701	K599-F611 VanDerWaalsContact C-CD2 3.49Å; K599-F611 VanDerWaalsContact C-CE2 3.44Å; K599-F611 WeakPolarHBondContact O-CD2 3.34Å; K600-F611 VanDerWaalsContact O-CZ 3.31Å; K600-F611 WeakPolarHBondContact O-CZ 3.25Å; F601-F611 HydrophobicContact CB-CD1 3.84Å; F601-F611 HydrophobicContact CB-CE1 3.81Å; F601-F611 HydrophobicContact CD2-CE1 4.25Å; F611-W613 PolarHBondContact O-N 2.88Å; F611-I614 HydrophobicContact CD1-CD1 3.79Å; F611-I614 HydrophobicContact CE1-CD1 4.35Å; F611-I658 HydrophobicContact CE1-CD1 3.73Å; F611-I658 HydrophobicContact CE1-CG2 4.45Å; F611-I658 HydrophobicContact CZ-CD1 4.42Å; F611-P699 HydrophobicContact CB-CB 4.24Å; F611-P699 HydrophobicContact CD2-CB 3.64Å; F611-P699 HydrophobicContact CD2-CG 4.11Å; F611-P699 HydrophobicContact CE2-CB 4.09Å; F611-P699 HydrophobicContact CE2-CG 4.13Å; F611-P699 HydrophobicContact CG-CB 3.95Å; F611-P699 HydrophobicContact CG-CG 4.34Å; F611-P699 HydrophobicContact CZ-CG 4.44Å; F611-W701 HydrophobicContact CB-CH2 4.24Å; F611-W701 HydrophobicContact CB-CZ3 4.14Å; F611-W701 AromaticContact CD1-CH2 3.94Å; F611-W701 HydrophobicContact CD1-CH2 3.94Å; F611-W701 HydrophobicContact CG-CH2 4.32Å
612	K	87.6	Confident	84.2	Confident	55 Å²	55	40.7 Å²	40.7	24%	0.239	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-74.7	-8.3	177.7	74.8	-171.6	169.4	-123.5	0	115.5	D610 W722 V724	D610-K612 HydrophobicContact CB-CG 4.2Å; D610-K612 VanDerWaalsContact CG-NZ 3.29Å; D610-K612 PolarHBondContact O-N 3.11Å; D610-K612 VanDerWaalsContact OD1-CD 3.26Å; D610-K612 WeakPolarHBondContact OD1-CD 3.2Å; D610-K612 VanDerWaalsContact OD1-CE 3.31Å; D610-K612 WeakPolarHBondContact OD1-CE 3.46Å; D610-K612 WeakPolarHBondContact OD1-CG 3.47Å; D610-K612 IonicContact OD1-NZ 2.81Å; D610-K612 PolarHBondContact OD1-NZ 3.12Å; D610-K612 IonicContact OD2-NZ 2.68Å; K612-W722 WeakPolarHBondContact CA-O 3.21Å; K612-V724 HydrophobicContact CB-CG2 3.72Å; K612-V724 HydrophobicContact CD-CG2 4.41Å
613	W	87.9	Confident	84.1	Confident	44 Å²	44	38.7 Å²	38.7	17%	0.167	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-98.2	-5.9	-177.2	-60.7	137.4	0	0	0	113	I609 D610 F611 C615 D620	I609-W613 HydrophobicContact CD1-CB 3.88Å; D610-W613 VanDerWaalsContact CB-CD1 3.49Å; D610-W613 HydrophobicContact CB-CG 4.47Å; D610-W613 WeakPolarHBondContact O-CB 3.34Å; D610-W613 PolarHBondContact O-N 2.82Å; D610-W613 VanDerWaalsContact O-N 3.08Å; F611-W613 PolarHBondContact O-N 2.88Å; W613-C615 PolarHBondContact O-N 2.81Å; W613-D620 HydrophobicContact CB-CB 4.43Å; W613-D620 VanDerWaalsContact CB-OD2 3.23Å; W613-D620 WeakPolarHBondContact CB-OD2 3.32Å; W613-D620 VanDerWaalsContact CE3-OD2 3.32Å
614	I	89.9	Confident	84	Confident	4 Å²	4	40 Å²	40	2%	0.021	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	125.8	173	-65.9	179.3	0	0	0	109	F601 F611 D616 Y655 Y656 W701	F601-I614 HydrophobicContact CB-CD1 3.97Å; F601-I614 HydrophobicContact CB-CG1 4.36Å; F601-I614 HydrophobicContact CD1-CD1 4.24Å; F601-I614 HydrophobicContact CD1-CG1 4.17Å; F601-I614 HydrophobicContact CD2-CD1 3.56Å; F601-I614 HydrophobicContact CD2-CG1 4.36Å; F601-I614 HydrophobicContact CE2-CD1 4.08Å; F601-I614 HydrophobicContact CG-CD1 3.66Å; F601-I614 HydrophobicContact CG-CG1 4.04Å; F611-I614 HydrophobicContact CD1-CD1 3.79Å; F611-I614 HydrophobicContact CE1-CD1 4.35Å; I614-D616 VanDerWaalsContact C-N 3.27Å; I614-D616 PolarHBondContact O-N 3.02Å; I614-Y655 HydrophobicContact CG2-CE1 4.23Å; I614-Y656 HydrophobicContact CD1-CD1 4.03Å; I614-Y656 HydrophobicContact CD1-CG 4.45Å; I614-Y656 HydrophobicContact CG2-CD1 3.67Å; I614-Y656 HydrophobicContact CG2-CD2 3.3Å; I614-Y656 HydrophobicContact CG2-CE1 3.98Å; I614-Y656 HydrophobicContact CG2-CE2 3.67Å; I614-Y656 HydrophobicContact CG2-CG 3.29Å; I614-W701 HydrophobicContact CD1-CH2 4.33Å
615	C	91	Very high	84.3	Confident	29 Å²	29	34.6 Å²	34.6	20%	0.196	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	37.4	179.3	-51.4	0	0	0	0	113.5	W613 D626 E627 C632 Y655 Y656	W613-C615 PolarHBondContact O-N 2.81Å; C615-D626 PolarHBondContact N-O 3.17Å; C615-D626 VanDerWaalsContact N-O 3.15Å; C615-E627 WeakPolarHBondContact CA-OE1 3.38Å; C615-E627 PolarHBondContact N-OE1 3.46Å; C615-C632 HydrophobicContact CB-CB 3.79Å; C615-C632 WeakPolarHBondContact CB-SG 3.46Å; C615-C632 WeakPolarHBondContact SG-CA 3.42Å; C615-C632 WeakPolarHBondContact SG-CB 3.3Å; C615-C632 CovalentContact SG-SG 2.03Å; C615-C632 PolarHBondContact SG-SG 2.62Å; C615-Y655 VanDerWaalsContact CB-OH 3.28Å; C615-Y655 WeakPolarHBondContact CB-OH 3.46Å; C615-Y656 WeakPolarHBondContact SG-CD2 3.4Å; C615-Y656 WeakPolarHBondContact SG-CE2 3.48Å
616	D	86.6	Confident	85	Confident	30 Å²	30	31.5 Å²	31.5	16%	0.16	20%	0.197	C	C	.	.	S	Bend	trans	-90.1	-18.1	177.6	119.8	-47	0	0	0	112.5	I614 E618 E627 R721	I614-D616 VanDerWaalsContact C-N 3.27Å; I614-D616 PolarHBondContact O-N 3.02Å; D616-E618 PolarHBondContact OD1-N 3.16Å; D616-E627 PolarHBondContact N-OE1 3.19Å; D616-R721 IonicContact OD2-CZ 2.68Å; D616-R721 IonicContact OD2-NH1 3.04Å; D616-R721 PolarHBondContact OD2-NH1 3.15Å; D616-R721 IonicContact OD2-NH2 2.85Å; D616-R721 PolarHBondContact OD2-NH2 3.23Å
617	G	85.9	Confident	85.7	Confident	60 Å²	60	32.8 Å²	32.8	62%	0.619	20%	0.197	S	C	*	.	S	Bend	trans	106.1	-6.7	177.8	0	0	0	0	0	115	E627	G617-E627 PolarHBondContact N-OE1 2.68Å; G617-E627 PolarHBondContact N-OE2 2.88Å
618	E	84.5	Confident	86.7	Confident	110 Å²	110	34.7 Å²	34.7	51%	0.514	21%	0.208	S	C	.	.	S	Bend	trans	-109.2	138.5	174.6	-61.2	-171.8	-155.7	0	0	111.1	D616 D620 E627	D616-E618 PolarHBondContact OD1-N 3.16Å; E618-D620 PolarHBondContact O-N 3.06Å; E618-E627 WeakPolarHBondContact O-CG 3.31Å
619	D	85.2	Confident	87	Confident	57 Å²	57	40.2 Å²	40.2	31%	0.305	23%	0.232	S	C	.	.			trans	-77.6	75.2	174.7	174	33.2	0	0	0	109.8	R528 C621 G622 D623 G624	R528-D619 PolarHBondContact NH2-O 3.44Å; D619-C621 VanDerWaalsContact C-N 3.33Å; D619-G622 VanDerWaalsContact CG-CA 3.48Å; D619-G622 PolarHBondContact O-N 3.18Å; D619-G622 VanDerWaalsContact OD1-CA 3.23Å; D619-G622 WeakPolarHBondContact OD1-CA 3.15Å; D619-G622 PolarHBondContact OD1-N 3.01Å; D619-G622 VanDerWaalsContact OD2-CA 3.26Å; D619-G622 WeakPolarHBondContact OD2-CA 3.31Å; D619-D623 PolarHBondContact OD1-N 3.18Å; D619-G624 WeakPolarHBondContact OD1-CA 3.27Å; D619-G624 PolarHBondContact OD1-N 3.47Å
620	D	84.2	Confident	87.4	Confident	10 Å²	10	47.4 Å²	47.4	5%	0.053	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-33	178.7	-92.3	-29.4	0	0	0	111.4	I609 W613 E618 G622 D626	I609-D620 HydrophobicContact CD1-CB 4.09Å; I609-D620 HydrophobicContact CG2-CB 4.4Å; W613-D620 HydrophobicContact CB-CB 4.43Å; W613-D620 VanDerWaalsContact CB-OD2 3.23Å; W613-D620 WeakPolarHBondContact CB-OD2 3.32Å; W613-D620 VanDerWaalsContact CE3-OD2 3.32Å; E618-D620 PolarHBondContact O-N 3.06Å; D620-G622 VanDerWaalsContact C-N 3.28Å; D620-G622 PolarHBondContact O-N 2.59Å; D620-D626 WeakPolarHBondContact CA-OD2 3.39Å; D620-D626 WeakPolarHBondContact CB-OD2 3.46Å; D620-D626 PolarHBondContact N-OD2 2.92Å
621	C	83.3	Confident	87.6	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.007	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.3	171.9	-76.9	0	0	0	0	114.2	C603 H607 D619 D623 S625 D626	C603-C621 HydrophobicContact CB-CB 3.61Å; C603-C621 WeakPolarHBondContact CB-SG 3.29Å; C603-C621 WeakPolarHBondContact SG-CA 3.41Å; C603-C621 WeakPolarHBondContact SG-CB 3.38Å; C603-C621 CovalentContact SG-SG 2.03Å; C603-C621 PolarHBondContact SG-SG 2.75Å; H607-C621 PolarHBondContact CE1-O 3.01Å; D619-C621 VanDerWaalsContact C-N 3.33Å; C621-D623 WeakPolarHBondContact CB-OD1 3.44Å; C621-D623 PolarHBondContact O-N 2.85Å; C621-S625 PolarHBondContact SG-OG 2.96Å; C621-D626 HydrophobicContact CB-CB 4.45Å; C621-D626 PolarHBondContact N-OD2 3.16Å
622	G	77.7	Confident	87.7	Confident	38 Å²	38	49.2 Å²	49.2	39%	0.392	27%	0.271	S	S	.	.	S	Bend	trans	59.8	13.6	-176	0	0	0	0	0	115	D619 D620	D619-G622 VanDerWaalsContact CG-CA 3.48Å; D619-G622 PolarHBondContact O-N 3.18Å; D619-G622 VanDerWaalsContact OD1-CA 3.23Å; D619-G622 WeakPolarHBondContact OD1-CA 3.15Å; D619-G622 PolarHBondContact OD1-N 3.01Å; D619-G622 VanDerWaalsContact OD2-CA 3.26Å; D619-G622 WeakPolarHBondContact OD2-CA 3.31Å; D620-G622 VanDerWaalsContact C-N 3.28Å; D620-G622 PolarHBondContact O-N 2.59Å
623	D	84.1	Confident	87.7	Confident	61 Å²	61	53.6 Å²	53.6	33%	0.326	29%	0.291	S	S	.	.	S	Bend	trans	-142.2	2.1	-176.4	69	24.3	0	0	0	112.8	T604 S605 D619 C621 S625	T604-D623 PolarHBondContact N-OD2 3.1Å; S605-D623 WeakPolarHBondContact CB-OD2 3.41Å; S605-D623 PolarHBondContact N-OD2 3.18Å; S605-D623 PolarHBondContact OG-OD2 2.85Å; D619-D623 PolarHBondContact OD1-N 3.18Å; C621-D623 WeakPolarHBondContact CB-OD1 3.44Å; C621-D623 PolarHBondContact O-N 2.85Å; D623-S625 VanDerWaalsContact C-N 3.28Å; D623-S625 PolarHBondContact O-N 3.17Å; D623-S625 WeakPolarHBondContact OD1-CB 3.46Å; D623-S625 PolarHBondContact OD1-N 3.24Å; D623-S625 PolarHBondContact OD1-OG 3.23Å
624	G	85.8	Confident	87.8	Confident	30 Å²	30	55 Å²	55	31%	0.309	30%	0.301	S	S	.	.	S	Bend	trans	68.4	13	-179.8	0	0	0	0	0	116	D619 D626 E627 D628	D619-G624 WeakPolarHBondContact OD1-CA 3.27Å; D619-G624 PolarHBondContact OD1-N 3.47Å; G624-D626 VanDerWaalsContact C-N 3.34Å; G624-E627 CarbonylContact O-C 3.54Å; G624-E627 PolarHBondContact O-N 3.44Å; G624-D628 PolarHBondContact O-N 2.78Å
625	S	91.9	Very high	87.8	Confident	11 Å²	11	59.9 Å²	59.9	8%	0.077	33%	0.333	C	S	.	.	S	Bend	trans	-80.1	-11.3	-175.8	64	0	0	0	0	115.6	F601 C603 T604 C621 D623 Y656	F601-S625 WeakPolarHBondContact CZ-O 3.48Å; C603-S625 WeakPolarHBondContact CA-OG 3.19Å; T604-S625 PolarHBondContact N-OG 2.78Å; T604-S625 WeakPolarHBondContact OG1-CB 3.45Å; C621-S625 PolarHBondContact SG-OG 2.96Å; D623-S625 VanDerWaalsContact C-N 3.28Å; D623-S625 PolarHBondContact O-N 3.17Å; D623-S625 WeakPolarHBondContact OD1-CB 3.46Å; D623-S625 PolarHBondContact OD1-N 3.24Å; D623-S625 PolarHBondContact OD1-OG 3.23Å; S625-Y656 VanDerWaalsContact C-OH 3.3Å; S625-Y656 PolarHBondContact O-OH 3.38Å
626	D	91.5	Very high	87.8	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-89.5	-30.7	167.1	48.2	-2.5	0	0	0	113.2	F601 I609 C615 D620 C621 G624 Y656	F601-D626 HydrophobicContact CE1-CB 4.22Å; I609-D626 HydrophobicContact CD1-CB 3.73Å; C615-D626 PolarHBondContact N-O 3.17Å; C615-D626 VanDerWaalsContact N-O 3.15Å; D620-D626 WeakPolarHBondContact CA-OD2 3.39Å; D620-D626 WeakPolarHBondContact CB-OD2 3.46Å; D620-D626 PolarHBondContact N-OD2 2.92Å; C621-D626 HydrophobicContact CB-CB 4.45Å; C621-D626 PolarHBondContact N-OD2 3.16Å; G624-D626 VanDerWaalsContact C-N 3.34Å; D626-Y656 WeakPolarHBondContact CA-OH 3.1Å; D626-Y656 WeakPolarHBondContact O-CE2 3.48Å; D626-Y656 PolarHBondContact O-OH 3.3Å; D626-Y656 VanDerWaalsContact O-OH 3.1Å
627	E	92.9	Very high	88.2	Confident	48 Å²	48	62.1 Å²	62.1	22%	0.224	34%	0.341	C	S	.	.	S	Bend	trans	-101.4	29.1	179.6	-67.3	-59.7	134.1	0	0	113.7	C615 D616 G617 E618 G624 Q629	C615-E627 WeakPolarHBondContact CA-OE1 3.38Å; C615-E627 PolarHBondContact N-OE1 3.46Å; D616-E627 PolarHBondContact N-OE1 3.19Å; G617-E627 PolarHBondContact N-OE1 2.68Å; G617-E627 PolarHBondContact N-OE2 2.88Å; E618-E627 WeakPolarHBondContact O-CG 3.31Å; G624-E627 CarbonylContact O-C 3.54Å; G624-E627 PolarHBondContact O-N 3.44Å; E627-Q629 PolarHBondContact O-N 2.82Å
628	D	93.1	Very high	88.7	Confident	52 Å²	52	60.3 Å²	60.3	28%	0.278	32%	0.318	S	S	.	.			trans	-62.6	103.6	176	-178.8	-26.2	0	0	0	109.9	G624 K630 K631 C632 Y656	G624-D628 PolarHBondContact O-N 2.78Å; D628-K630 PolarHBondContact O-N 3.07Å; D628-K630 VanDerWaalsContact OD1-CB 3.32Å; D628-K630 WeakPolarHBondContact OD1-CB 3.21Å; D628-K630 PolarHBondContact OD1-N 2.99Å; D628-K631 HydrophobicContact CB-CB 4.15Å; D628-K631 HydrophobicContact CB-CD 4.09Å; D628-K631 HydrophobicContact CB-CG 4.13Å; D628-K631 PolarHBondContact O-N 2.79Å; D628-K631 PolarHBondContact OD1-N 3.15Å; D628-K631 WeakPolarHBondContact OD2-CE 3.42Å; D628-K631 IonicContact OD2-NZ 3.18Å; D628-K631 PolarHBondContact OD2-NZ 3.21Å; D628-C632 PolarHBondContact O-N 3.36Å; D628-C632 PolarHBondContact O-SG 3.24Å; D628-C632 VanDerWaalsContact O-SG 3.35Å; D628-Y656 HydrophobicContact CB-CE2 4.33Å; D628-Y656 WeakPolarHBondContact CB-OH 3.42Å; D628-Y656 PolarHBondContact N-OH 3.47Å; D628-Y656 VanDerWaalsContact N-OH 3.17Å
629	Q	87.8	Confident	89.2	Confident	136 Å²	136	59.7 Å²	59.7	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-53.2	-28.3	-175.6	-66	-163	11.7	0	0	114	E627 K633	E627-Q629 PolarHBondContact O-N 2.82Å; Q629-K633 WeakPolarHBondContact O-CB 2.99Å; Q629-K633 VanDerWaalsContact O-CD 3.26Å; Q629-K633 WeakPolarHBondContact O-CD 3.43Å; Q629-K633 WeakPolarHBondContact O-CG 3.03Å; Q629-K633 PolarHBondContact O-N 3.13Å
630	K	90.6	Very high	89.6	Confident	154 Å²	154	58.4 Å²	58.4	67%	0.67	30%	0.304	S	S	*	.	H	α-helix	trans	-72.4	-54.8	177.5	-171.3	178.1	178.7	-178.7	0	109.5	D628 C632 K633 D634	D628-K630 PolarHBondContact O-N 3.07Å; D628-K630 VanDerWaalsContact OD1-CB 3.32Å; D628-K630 WeakPolarHBondContact OD1-CB 3.21Å; D628-K630 PolarHBondContact OD1-N 2.99Å; K630-C632 VanDerWaalsContact C-N 3.32Å; K630-C632 PolarHBondContact O-N 3.13Å; K630-K633 PolarHBondContact O-N 3.34Å; K630-D634 PolarHBondContact O-N 2.68Å
631	K	91	Very high	90	Very high	78 Å²	78	59.3 Å²	59.3	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-34	-179.9	-63.2	-176.9	-169.6	111.2	0	113.3	D628 K633 Y656	D628-K631 HydrophobicContact CB-CB 4.15Å; D628-K631 HydrophobicContact CB-CD 4.09Å; D628-K631 HydrophobicContact CB-CG 4.13Å; D628-K631 PolarHBondContact O-N 2.79Å; D628-K631 PolarHBondContact OD1-N 3.15Å; D628-K631 WeakPolarHBondContact OD2-CE 3.42Å; D628-K631 IonicContact OD2-NZ 3.18Å; D628-K631 PolarHBondContact OD2-NZ 3.21Å; K631-K633 VanDerWaalsContact C-N 3.34Å; K631-Y656 HydrophobicContact CB-CD1 4.47Å; K631-Y656 HydrophobicContact CB-CD2 3.38Å; K631-Y656 HydrophobicContact CB-CE1 4.38Å; K631-Y656 HydrophobicContact CB-CE2 3.25Å; K631-Y656 HydrophobicContact CB-CG 4.03Å; K631-Y656 HydrophobicContact CD-CD1 3.97Å; K631-Y656 HydrophobicContact CD-CD2 4.31Å; K631-Y656 HydrophobicContact CD-CE1 3.6Å; K631-Y656 HydrophobicContact CD-CE2 3.96Å; K631-Y656 HydrophobicContact CD-CG 4.32Å; K631-Y656 HydrophobicContact CG-CE2 4.26Å
632	C	89.6	Confident	90.4	Very high	25 Å²	25	64.4 Å²	64.4	17%	0.169	34%	0.337	C	S	.	.	H	α-helix	trans	-66.3	-35.7	173.9	-64	0	0	0	0	112.6	C615 D628 K630 K715	C615-C632 HydrophobicContact CB-CB 3.79Å; C615-C632 WeakPolarHBondContact CB-SG 3.46Å; C615-C632 WeakPolarHBondContact SG-CA 3.42Å; C615-C632 WeakPolarHBondContact SG-CB 3.3Å; C615-C632 CovalentContact SG-SG 2.03Å; C615-C632 PolarHBondContact SG-SG 2.62Å; D628-C632 PolarHBondContact O-N 3.36Å; D628-C632 PolarHBondContact O-SG 3.24Å; D628-C632 VanDerWaalsContact O-SG 3.35Å; K630-C632 VanDerWaalsContact C-N 3.32Å; K630-C632 PolarHBondContact O-N 3.13Å; C632-K715 PolarHBondContact O-NZ 2.03Å
633	K	88	Confident	90.7	Very high	148 Å²	148	64 Å²	64	64%	0.643	33%	0.333	S	S	*	.	H	α-helix	trans	-82.3	-27.2	-179.5	-71	171.1	-171	163.7	0	113	Q629 K630 K631 K715	Q629-K633 WeakPolarHBondContact O-CB 2.99Å; Q629-K633 VanDerWaalsContact O-CD 3.26Å; Q629-K633 WeakPolarHBondContact O-CD 3.43Å; Q629-K633 WeakPolarHBondContact O-CG 3.03Å; Q629-K633 PolarHBondContact O-N 3.13Å; K630-K633 PolarHBondContact O-N 3.34Å; K631-K633 VanDerWaalsContact C-N 3.34Å; K633-K715 VanDerWaalsContact C-NZ 3.33Å; K633-K715 PolarHBondContact O-NZ 3.46Å
634	D	89.2	Confident	90.9	Very high	72 Å²	72	66.8 Å²	66.8	39%	0.385	35%	0.352	S	S	.	.	S	Bend	trans	-46.7	141.9	-179	-77.8	-21.9	0	0	0	114	K630 K715	K630-D634 PolarHBondContact O-N 2.68Å; D634-K715 WeakPolarHBondContact O-CE 3.04Å; D634-K715 PolarHBondContact O-NZ 3.01Å
635	P	89.3	Confident	90.8	Very high	108 Å²	108	67.4 Å²	67.4	70%	0.701	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-65.4	147.6	-178.5	28.1	-35.1	0	0	0	112
636	V	92.6	Very high	90.5	Very high	16 Å²	16	72.5 Å²	72.5	10%	0.097	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-82.3	126.3	177	168.1	0	0	0	0	110.2	V638 V653 Y655 M678 L714 K715 W722	V636-V638 HydrophobicContact CG1-CG1 4.49Å; V636-V653 HydrophobicContact CG1-CG1 3.31Å; V636-Y655 HydrophobicContact CG2-CD2 4.08Å; V636-M678 VanDerWaalsContact O-CE 3.26Å; V636-M678 WeakPolarHBondContact O-CE 3.47Å; V636-L714 HydrophobicContact CG1-CD1 4.37Å; V636-K715 HydrophobicContact CB-CG 4.48Å; V636-K715 HydrophobicContact CG2-CD 4.08Å; V636-K715 HydrophobicContact CG2-CG 3.75Å; V636-W722 HydrophobicContact CB-CH2 4.46Å; V636-W722 HydrophobicContact CG1-CH2 4.05Å; V636-W722 HydrophobicContact CG2-CH2 3.62Å; V636-W722 HydrophobicContact CG2-CZ2 3.94Å; V636-W722 HydrophobicContact CG2-CZ3 4.39Å
637	E	94.8	Very high	90.4	Very high	90 Å²	90	74.1 Å²	74.1	42%	0.421	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	150.8	171.4	-60	164.8	-132.1	0	0	110.3	V653 K654 W659	E637-V653 WeakPolarHBondContact O-CA 3.5Å; E637-K654 HydrophobicContact CB-CB 3.89Å; E637-K654 HydrophobicContact CB-CD 4.13Å; E637-K654 HydrophobicContact CG-CD 4.18Å; E637-K654 PolarHBondContact O-N 2.98Å; E637-K654 VanDerWaalsContact OE1-CD 3.26Å; E637-K654 WeakPolarHBondContact OE1-CD 3.43Å; E637-K654 WeakPolarHBondContact OE1-CE 3.28Å; E637-K654 IonicContact OE1-NZ 2.67Å; E637-K654 PolarHBondContact OE1-NZ 2.57Å; E637-K654 WeakPolarHBondContact OE2-CD 3.31Å; E637-K654 IonicContact OE2-NZ 3.69Å; E637-K654 PolarHBondContact OE2-NZ 2.83Å; E637-W659 HydrophobicContact CB-CH2 3.85Å; E637-W659 HydrophobicContact CB-CZ2 4.39Å
638	V	95.2	Very high	90.3	Very high	22 Å²	22	74.6 Å²	74.6	13%	0.133	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.5	175.5	-62.3	0	0	0	0	110.5	V636 E652 V653 M678 L679 L714	V636-V638 HydrophobicContact CG1-CG1 4.49Å; V638-E652 WeakPolarHBondContact CA-O 2.92Å; V638-V653 HydrophobicContact CG1-CG1 4.41Å; V638-V653 HydrophobicContact CG1-CG2 4.23Å; V638-M678 HydrophobicContact CG1-CE 3.81Å; V638-M678 HydrophobicContact CG1-SD 4.02Å; V638-M678 HydrophobicContact CG2-CB 3.58Å; V638-M678 HydrophobicContact CG2-CE 4.14Å; V638-M678 HydrophobicContact CG2-SD 4.36Å; V638-L679 HydrophobicContact CG2-CD2 3.89Å; V638-L679 HydrophobicContact CG2-CG 3.91Å; V638-L714 HydrophobicContact CG1-CD1 3.74Å
639	R	95	Very high	90.3	Very high	97 Å²	97	72.1 Å²	72.1	37%	0.366	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.7	174.3	70.2	-176.1	-176.4	-174.1	0.6	111.7	V641 E652 W659	R639-V641 HydrophobicContact CG-CG2 3.75Å; R639-E652 HydrophobicContact CG-CB 3.91Å; R639-E652 IonicContact CZ-OE2 3.22Å; R639-E652 VanDerWaalsContact CZ-OE2 3.25Å; R639-E652 PolarHBondContact N-O 2.89Å; R639-E652 IonicContact NE-OE2 3.67Å; R639-E652 PolarHBondContact NE-OE2 2.82Å; R639-E652 IonicContact NH2-OE2 2.65Å; R639-E652 PolarHBondContact NH2-OE2 3.36Å; R639-E652 PolarHBondContact O-N 3.19Å; R639-W659 HydrophobicContact CB-CH2 4.1Å; R639-W659 HydrophobicContact CB-CZ3 4.12Å; R639-W659 HydrophobicContact CG-CE3 4Å; R639-W659 HydrophobicContact CG-CH2 3.84Å; R639-W659 HydrophobicContact CG-CZ3 3.51Å
640	L	94.3	Very high	90.7	Very high	30 Å²	30	66.2 Å²	66.2	16%	0.157	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.8	167.8	-57.4	-178.4	0	0	0	109.6	D647 R650 I651 L679 I735	L640-D647 VanDerWaalsContact CD1-C 3.47Å; L640-R650 CarbonylContact C-O 3.54Å; L640-R650 WeakPolarHBondContact CA-O 3.42Å; L640-I651 HydrophobicContact CD2-CG1 4.05Å; L640-L679 HydrophobicContact CD1-CD1 3.77Å; L640-L679 HydrophobicContact CD2-CD1 3.94Å; L640-L679 HydrophobicContact CG-CD1 3.59Å; L640-I735 HydrophobicContact CD1-CG1 4.22Å; L640-I735 HydrophobicContact CD2-CD1 4.04Å; L640-I735 HydrophobicContact CD2-CG1 3.66Å
641	V	93.5	Very high	90.9	Very high	29 Å²	29	58.9 Å²	58.9	18%	0.176	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.3	-173.4	-170.6	0	0	0	0	110.9	R639 G643 G649 R650 E652	R639-V641 HydrophobicContact CG-CG2 3.75Å; V641-G643 PolarHBondContact O-N 3.21Å; V641-G643 VanDerWaalsContact O-N 3.13Å; V641-G649 CarbonylContact O-C 3.59Å; V641-G649 WeakPolarHBondContact O-CA 3.48Å; V641-R650 VanDerWaalsContact CG1-NH2 3.31Å; V641-R650 PolarHBondContact N-O 3.33Å; V641-R650 PolarHBondContact O-N 3.12Å; V641-E652 HydrophobicContact CG2-CB 4.27Å; V641-E652 HydrophobicContact CG2-CG 4.06Å
642	N	90.4	Very high	91.1	Very high	108 Å²	108	55.6 Å²	55.6	58%	0.578	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	61.3	10.3	178	-64.3	-8.2	0	0	0	116.2	R650 F693	N642-R650 PolarHBondContact ND2-NH1 2.7Å; N642-F693 HydrophobicContact CB-CB 3.92Å; N642-F693 WeakPolarHBondContact CB-O 3.26Å; N642-F693 PolarHBondContact ND2-O 2.84Å; N642-F693 VanDerWaalsContact O-CD1 3.31Å; N642-F693 WeakPolarHBondContact O-CD1 3.39Å
643	G	85.1	Confident	91.4	Very high	29 Å²	29	54.4 Å²	54.4	30%	0.299	30%	0.299	S	S	.	.			trans	-78.7	168.9	171	0	0	0	0	0	113.6	V641 S645 K648	V641-G643 PolarHBondContact O-N 3.21Å; V641-G643 VanDerWaalsContact O-N 3.13Å; G643-S645 VanDerWaalsContact C-N 3.32Å; G643-K648 WeakPolarHBondContact CA-O 3.06Å
644	T	86.8	Confident	91.7	Very high	120 Å²	120	49.8 Å²	49.8	74%	0.736	28%	0.279	S	S	*	.	S	Bend	trans	-82.2	-8.4	178.9	51.9	0	0	0	0	113.8
645	S	84.1	Confident	91.8	Very high	43 Å²	43	47.1 Å²	47.1	30%	0.301	26%	0.264	S	S	.	.	S	Bend	trans	-156.2	156.2	-173.1	52.2	0	0	0	0	109.8	G643 D647 K648	G643-S645 VanDerWaalsContact C-N 3.32Å; S645-D647 WeakPolarHBondContact CB-OD1 3.47Å; S645-D647 PolarHBondContact O-N 2.99Å; S645-D647 VanDerWaalsContact O-N 3.17Å; S645-D647 PolarHBondContact OG-OD1 2.88Å; S645-K648 PolarHBondContact O-N 3.11Å; S645-K648 VanDerWaalsContact O-N 3.09Å; S645-K648 VanDerWaalsContact O-O 3.06Å; S645-K648 WeakPolarHBondContact OG-CB 3.46Å
646	P	85.9	Confident	91.9	Very high	117 Å²	117	42.7 Å²	42.7	76%	0.76	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.4	-174.4	-24.7	35.3	0	0	0	114.7	K648	P646-K648 VanDerWaalsContact C-N 3.29Å; P646-K648 PolarHBondContact O-N 3.03Å
647	D	89.6	Confident	91.8	Very high	34 Å²	34	44.4 Å²	44.4	18%	0.182	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	13.5	179.4	70.9	-33.6	0	0	0	113.2	L640 S645 T736 C737 A738	L640-D647 VanDerWaalsContact CD1-C 3.47Å; S645-D647 WeakPolarHBondContact CB-OD1 3.47Å; S645-D647 PolarHBondContact O-N 2.99Å; S645-D647 VanDerWaalsContact O-N 3.17Å; S645-D647 PolarHBondContact OG-OD1 2.88Å; D647-T736 CarbonylContact O-C 3.51Å; D647-T736 WeakPolarHBondContact O-CA 3.36Å; D647-T736 PolarHBondContact O-OG1 2.88Å; D647-C737 HydrophobicContact CB-CB 4.43Å; D647-C737 PolarHBondContact O-N 2.83Å; D647-A738 WeakPolarHBondContact OD2-CB 3.35Å
648	K	90.9	Very high	91.6	Very high	59 Å²	59	42.6 Å²	42.6	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	141.7	-172.6	-173.6	167.7	178	-176.1	0	111.9	G643 S645 P646 F693 I735	G643-K648 WeakPolarHBondContact CA-O 3.06Å; S645-K648 PolarHBondContact O-N 3.11Å; S645-K648 VanDerWaalsContact O-N 3.09Å; S645-K648 VanDerWaalsContact O-O 3.06Å; S645-K648 WeakPolarHBondContact OG-CB 3.46Å; P646-K648 VanDerWaalsContact C-N 3.29Å; P646-K648 PolarHBondContact O-N 3.03Å; K648-F693 HydrophobicContact CD-CZ 4.39Å; K648-F693 HydrophobicContact CG-CE1 4.26Å; K648-F693 HydrophobicContact CG-CZ 3.82Å; K648-I735 WeakPolarHBondContact CA-O 3.34Å
649	G	93.5	Very high	91.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145.7	-177.6	172.3	0	0	0	0	0	114.9	V641 A734 I735	V641-G649 CarbonylContact O-C 3.59Å; V641-G649 WeakPolarHBondContact O-CA 3.48Å; G649-A734 CarbonylContact O-C 3.53Å; G649-A734 WeakPolarHBondContact O-CA 3.15Å; G649-A734 WeakPolarHBondContact O-CB 3.25Å; G649-I735 PolarHBondContact N-O 2.92Å; G649-I735 PolarHBondContact O-N 3.06Å
650	R	95.2	Very high	91.4	Very high	12 Å²	12	40 Å²	40	5%	0.045	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	134.1	170.4	176.7	179.6	61.8	-94.3	-5.1	109.6	L640 V641 N642 E652 F693 G694 D732	L640-R650 CarbonylContact C-O 3.54Å; L640-R650 WeakPolarHBondContact CA-O 3.42Å; V641-R650 VanDerWaalsContact CG1-NH2 3.31Å; V641-R650 PolarHBondContact N-O 3.33Å; V641-R650 PolarHBondContact O-N 3.12Å; N642-R650 PolarHBondContact ND2-NH1 2.7Å; R650-E652 IonicContact CZ-OE1 2.69Å; R650-E652 VanDerWaalsContact CZ-OE1 3.27Å; R650-E652 IonicContact NE-OE1 3.76Å; R650-E652 PolarHBondContact NE-OE1 3.39Å; R650-E652 IonicContact NH2-OE1 3.16Å; R650-E652 PolarHBondContact NH2-OE1 2.87Å; R650-E652 PolarHBondContact O-N 2.99Å; R650-F693 HydrophobicContact CB-CB 4.35Å; R650-F693 PolarHBondContact NH1-O 2.84Å; R650-G694 WeakPolarHBondContact CD-O 3.28Å; R650-G694 PolarHBondContact NH1-O 3.37Å; R650-D732 HydrophobicContact CG-CB 4.29Å
651	I	95.3	Very high	91.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	124.2	173.9	-54.8	-173.6	0	0	0	109.3	L640 V653 V662 F667 I675 V733 I735	L640-I651 HydrophobicContact CD2-CG1 4.05Å; I651-V653 HydrophobicContact CG2-CG2 4.07Å; I651-V662 HydrophobicContact CB-CB 4.43Å; I651-V662 HydrophobicContact CB-CG2 4.41Å; I651-V662 HydrophobicContact CG2-CB 4.29Å; I651-V662 HydrophobicContact CG2-CG2 3.77Å; I651-F667 HydrophobicContact CD1-CE1 3.79Å; I651-F667 HydrophobicContact CD1-CE2 3.97Å; I651-F667 HydrophobicContact CD1-CZ 3.32Å; I651-I675 HydrophobicContact CD1-CD1 3.86Å; I651-I675 HydrophobicContact CD1-CG2 4.44Å; I651-I675 HydrophobicContact CG2-CD1 3.76Å; I651-I675 HydrophobicContact CG2-CG2 4.41Å; I651-V733 HydrophobicContact CB-CG1 4.27Å; I651-V733 HydrophobicContact CD1-CG1 3.74Å; I651-V733 HydrophobicContact CG1-CG1 4.1Å; I651-V733 PolarHBondContact N-O 2.82Å; I651-I735 HydrophobicContact CD1-CD1 3.87Å; I651-I735 HydrophobicContact CD1-CG1 4Å; I651-I735 HydrophobicContact CD1-CG2 3.87Å; I651-I735 HydrophobicContact CG1-CD1 4.16Å; I651-I735 HydrophobicContact CG1-CG1 3.92Å; I651-I735 HydrophobicContact CG1-CG2 4.46Å
652	E	95.3	Very high	91.4	Very high	9 Å²	9	37.2 Å²	37.2	4%	0.042	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.4	163.4	-69.8	179.7	-169.5	0	0	110.5	V638 R639 V641 R650 W659 G660	V638-E652 WeakPolarHBondContact CA-O 2.92Å; R639-E652 HydrophobicContact CG-CB 3.91Å; R639-E652 IonicContact CZ-OE2 3.22Å; R639-E652 VanDerWaalsContact CZ-OE2 3.25Å; R639-E652 PolarHBondContact N-O 2.89Å; R639-E652 IonicContact NE-OE2 3.67Å; R639-E652 PolarHBondContact NE-OE2 2.82Å; R639-E652 IonicContact NH2-OE2 2.65Å; R639-E652 PolarHBondContact NH2-OE2 3.36Å; R639-E652 PolarHBondContact O-N 3.19Å; V641-E652 HydrophobicContact CG2-CB 4.27Å; V641-E652 HydrophobicContact CG2-CG 4.06Å; R650-E652 IonicContact CZ-OE1 2.69Å; R650-E652 VanDerWaalsContact CZ-OE1 3.27Å; R650-E652 IonicContact NE-OE1 3.76Å; R650-E652 PolarHBondContact NE-OE1 3.39Å; R650-E652 IonicContact NH2-OE1 3.16Å; R650-E652 PolarHBondContact NH2-OE1 2.87Å; R650-E652 PolarHBondContact O-N 2.99Å; E652-W659 HydrophobicContact CB-CE3 4.01Å; E652-G660 CarbonylContact C-O 3.53Å; E652-G660 VanDerWaalsContact CA-O 3.28Å; E652-G660 WeakPolarHBondContact CA-O 3.1Å
653	V	95	Very high	91.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140.2	-177.3	-175.2	0	0	0	0	107.7	V636 E637 V638 I651 G660 V662 W701 L702 L714 W722	V636-V653 HydrophobicContact CG1-CG1 3.31Å; E637-V653 WeakPolarHBondContact O-CA 3.5Å; V638-V653 HydrophobicContact CG1-CG1 4.41Å; V638-V653 HydrophobicContact CG1-CG2 4.23Å; I651-V653 HydrophobicContact CG2-CG2 4.07Å; V653-G660 PolarHBondContact N-O 2.93Å; V653-G660 PolarHBondContact O-N 2.95Å; V653-V662 HydrophobicContact CG2-CG2 3.48Å; V653-V662 VanDerWaalsContact CG2-CG2 3.48Å; V653-W701 PolarHBondContact O-NE1 3.08Å; V653-L702 HydrophobicContact CG2-CD1 4.4Å; V653-L714 HydrophobicContact CG1-CD1 4.03Å; V653-L714 HydrophobicContact CG2-CD1 3.93Å; V653-W722 HydrophobicContact CG1-CH2 4.18Å; V653-W722 HydrophobicContact CG1-CZ3 3.81Å
654	K	94.4	Very high	91.6	Very high	51 Å²	51	31.7 Å²	31.7	22%	0.222	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.6	176.2	-159.6	-169.9	-173.6	-178	0	109.1	E637 I658 W659	E637-K654 HydrophobicContact CB-CB 3.89Å; E637-K654 HydrophobicContact CB-CD 4.13Å; E637-K654 HydrophobicContact CG-CD 4.18Å; E637-K654 PolarHBondContact O-N 2.98Å; E637-K654 VanDerWaalsContact OE1-CD 3.26Å; E637-K654 WeakPolarHBondContact OE1-CD 3.43Å; E637-K654 WeakPolarHBondContact OE1-CE 3.28Å; E637-K654 IonicContact OE1-NZ 2.67Å; E637-K654 PolarHBondContact OE1-NZ 2.57Å; E637-K654 WeakPolarHBondContact OE2-CD 3.31Å; E637-K654 IonicContact OE2-NZ 3.69Å; E637-K654 PolarHBondContact OE2-NZ 2.83Å; K654-I658 WeakPolarHBondContact CA-O 3.49Å; K654-W659 HydrophobicContact CB-CD2 3.84Å; K654-W659 HydrophobicContact CB-CE3 3.75Å; K654-W659 HydrophobicContact CB-CH2 3.9Å; K654-W659 HydrophobicContact CB-CZ2 4Å; K654-W659 HydrophobicContact CB-CZ3 3.77Å; K654-W659 HydrophobicContact CD-CD2 4.47Å; K654-W659 HydrophobicContact CD-CH2 4.44Å; K654-W659 HydrophobicContact CD-CZ2 3.84Å; K654-W659 HydrophobicContact CG-CD2 4Å; K654-W659 HydrophobicContact CG-CE3 4.42Å; K654-W659 HydrophobicContact CG-CG 4.31Å; K654-W659 HydrophobicContact CG-CZ2 4.22Å
655	Y	92.3	Very high	91.4	Very high	16 Å²	16	27.3 Å²	27.3	6%	0.063	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	138.2	176.1	-175.7	-108	0	0	0	108.6	I614 C615 V636 G657 I658 W701 W722	I614-Y655 HydrophobicContact CG2-CE1 4.23Å; C615-Y655 VanDerWaalsContact CB-OH 3.28Å; C615-Y655 WeakPolarHBondContact CB-OH 3.46Å; V636-Y655 HydrophobicContact CG2-CD2 4.08Å; Y655-G657 PolarHBondContact O-N 3.1Å; Y655-G657 VanDerWaalsContact O-N 3.12Å; Y655-I658 PolarHBondContact N-O 2.02Å; Y655-I658 PolarHBondContact O-N 2.81Å; Y655-W701 HydrophobicContact CD1-CD2 4.45Å; Y655-W701 HydrophobicContact CD1-CE3 4.05Å; Y655-W701 HydrophobicContact CD1-CH2 4.03Å; Y655-W701 HydrophobicContact CD1-CZ2 4.37Å; Y655-W701 AromaticContact CD1-CZ3 3.84Å; Y655-W701 HydrophobicContact CD1-CZ3 3.84Å; Y655-W722 HydrophobicContact CD1-CB 3.8Å; Y655-W722 AromaticContact CD1-CD2 3.9Å; Y655-W722 HydrophobicContact CD1-CD2 3.9Å; Y655-W722 AromaticContact CD1-CE3 3.91Å; Y655-W722 HydrophobicContact CD1-CE3 3.91Å; Y655-W722 AromaticContact CD1-CG 3.84Å; Y655-W722 HydrophobicContact CD1-CG 3.84Å; Y655-W722 AromaticContact CD2-CD2 3.54Å; Y655-W722 HydrophobicContact CD2-CD2 3.54Å; Y655-W722 AromaticContact CD2-CE2 3.72Å; Y655-W722 AromaticContact CD2-CE3 3.63Å; Y655-W722 HydrophobicContact CD2-CE3 3.63Å; Y655-W722 HydrophobicContact CD2-CG 4.1Å; Y655-W722 HydrophobicContact CD2-CH2 4.15Å; Y655-W722 HydrophobicContact CD2-CZ2 4.04Å; Y655-W722 AromaticContact CD2-CZ3 3.94Å; Y655-W722 HydrophobicContact CD2-CZ3 3.94Å; Y655-W722 HydrophobicContact CE1-CB 3.54Å; Y655-W722 AromaticContact CE1-CD1 3.98Å; Y655-W722 HydrophobicContact CE1-CD2 4.01Å; Y655-W722 HydrophobicContact CE1-CE3 4.49Å; Y655-W722 AromaticContact CE1-CG 3.54Å; Y655-W722 HydrophobicContact CE1-CG 3.54Å; Y655-W722 AromaticContact CE2-CD1 3.79Å; Y655-W722 AromaticContact CE2-CD2 3.68Å; Y655-W722 HydrophobicContact CE2-CD2 3.68Å; Y655-W722 AromaticContact CE2-CE2 3.65Å; Y655-W722 HydrophobicContact CE2-CE3 4.26Å; Y655-W722 AromaticContact CE2-CG 3.84Å; Y655-W722 HydrophobicContact CE2-CG 3.84Å; Y655-W722 HydrophobicContact CE2-CZ2 4.25Å; Y655-W722 AromaticContact CE2-NE1 3.7Å; Y655-W722 HydrophobicContact CG-CB 4.48Å; Y655-W722 AromaticContact CG-CD2 3.65Å; Y655-W722 HydrophobicContact CG-CD2 3.65Å; Y655-W722 AromaticContact CG-CE3 3.42Å; Y655-W722 HydrophobicContact CG-CE3 3.42Å; Y655-W722 VanDerWaalsContact CG-CE3 3.42Å; Y655-W722 HydrophobicContact CG-CG 4.09Å; Y655-W722 AromaticContact CG-CZ3 3.96Å; Y655-W722 HydrophobicContact CG-CZ3 3.96Å; Y655-W722 AromaticContact CZ-CD1 3.51Å; Y655-W722 AromaticContact CZ-CD2 3.9Å; Y655-W722 AromaticContact CZ-CG 3.53Å; Y655-W722 AromaticContact CZ-NE1 3.91Å
656	Y	91.3	Very high	91.3	Very high	15 Å²	15	26.9 Å²	26.9	6%	0.059	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	33.7	-174.8	-148.9	-106.8	0	0	0	113.9	F601 I614 C615 S625 D626 D628 K631 I658	F601-Y656 HydrophobicContact CE2-CD1 4.17Å; F601-Y656 AromaticContact CE2-CE1 3.96Å; F601-Y656 HydrophobicContact CE2-CE1 3.96Å; F601-Y656 HydrophobicContact CZ-CD1 4.45Å; F601-Y656 AromaticContact CZ-CE1 3.79Å; F601-Y656 HydrophobicContact CZ-CE1 3.79Å; I614-Y656 HydrophobicContact CD1-CD1 4.03Å; I614-Y656 HydrophobicContact CD1-CG 4.45Å; I614-Y656 HydrophobicContact CG2-CD1 3.67Å; I614-Y656 HydrophobicContact CG2-CD2 3.3Å; I614-Y656 HydrophobicContact CG2-CE1 3.98Å; I614-Y656 HydrophobicContact CG2-CE2 3.67Å; I614-Y656 HydrophobicContact CG2-CG 3.29Å; C615-Y656 WeakPolarHBondContact SG-CD2 3.4Å; C615-Y656 WeakPolarHBondContact SG-CE2 3.48Å; S625-Y656 VanDerWaalsContact C-OH 3.3Å; S625-Y656 PolarHBondContact O-OH 3.38Å; D626-Y656 WeakPolarHBondContact CA-OH 3.1Å; D626-Y656 WeakPolarHBondContact O-CE2 3.48Å; D626-Y656 PolarHBondContact O-OH 3.3Å; D626-Y656 VanDerWaalsContact O-OH 3.1Å; D628-Y656 HydrophobicContact CB-CE2 4.33Å; D628-Y656 WeakPolarHBondContact CB-OH 3.42Å; D628-Y656 PolarHBondContact N-OH 3.47Å; D628-Y656 VanDerWaalsContact N-OH 3.17Å; K631-Y656 HydrophobicContact CB-CD1 4.47Å; K631-Y656 HydrophobicContact CB-CD2 3.38Å; K631-Y656 HydrophobicContact CB-CE1 4.38Å; K631-Y656 HydrophobicContact CB-CE2 3.25Å; K631-Y656 HydrophobicContact CB-CG 4.03Å; K631-Y656 HydrophobicContact CD-CD1 3.97Å; K631-Y656 HydrophobicContact CD-CD2 4.31Å; K631-Y656 HydrophobicContact CD-CE1 3.6Å; K631-Y656 HydrophobicContact CD-CE2 3.96Å; K631-Y656 HydrophobicContact CD-CG 4.32Å; K631-Y656 HydrophobicContact CG-CE2 4.26Å; Y656-I658 PolarHBondContact O-N 3.33Å
657	G	89.8	Confident	91.3	Very high	52 Å²	52	22 Å²	22	54%	0.536	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-7.6	-174.9	0	0	0	0	0	116	Y655	Y655-G657 PolarHBondContact O-N 3.1Å; Y655-G657 VanDerWaalsContact O-N 3.12Å
658	I	90.3	Very high	91.1	Very high	52 Å²	52	23 Å²	23	27%	0.267	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.2	-171.3	-63.8	171.5	0	0	0	110.7	F601 F611 K654 Y655 Y656 P699 W701	F601-I658 HydrophobicContact CD2-CD1 4.17Å; F601-I658 HydrophobicContact CE2-CD1 4.46Å; F611-I658 HydrophobicContact CE1-CD1 3.73Å; F611-I658 HydrophobicContact CE1-CG2 4.45Å; F611-I658 HydrophobicContact CZ-CD1 4.42Å; K654-I658 WeakPolarHBondContact CA-O 3.49Å; Y655-I658 PolarHBondContact N-O 2.02Å; Y655-I658 PolarHBondContact O-N 2.81Å; Y656-I658 PolarHBondContact O-N 3.33Å; I658-P699 HydrophobicContact CG2-CG 3.83Å; I658-W701 HydrophobicContact CB-CZ2 3.98Å; I658-W701 HydrophobicContact CG2-CZ2 3.99Å; I658-W701 PolarHBondContact O-NE1 3.39Å
659	W	93.4	Very high	90.9	Very high	65 Å²	65	23.4 Å²	23.4	25%	0.246	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.8	175.2	-71.6	102.2	0	0	0	111.6	E637 R639 E652 K654	E637-W659 HydrophobicContact CB-CH2 3.85Å; E637-W659 HydrophobicContact CB-CZ2 4.39Å; R639-W659 HydrophobicContact CB-CH2 4.1Å; R639-W659 HydrophobicContact CB-CZ3 4.12Å; R639-W659 HydrophobicContact CG-CE3 4Å; R639-W659 HydrophobicContact CG-CH2 3.84Å; R639-W659 HydrophobicContact CG-CZ3 3.51Å; E652-W659 HydrophobicContact CB-CE3 4.01Å; K654-W659 HydrophobicContact CB-CD2 3.84Å; K654-W659 HydrophobicContact CB-CE3 3.75Å; K654-W659 HydrophobicContact CB-CH2 3.9Å; K654-W659 HydrophobicContact CB-CZ2 4Å; K654-W659 HydrophobicContact CB-CZ3 3.77Å; K654-W659 HydrophobicContact CD-CD2 4.47Å; K654-W659 HydrophobicContact CD-CH2 4.44Å; K654-W659 HydrophobicContact CD-CZ2 3.84Å; K654-W659 HydrophobicContact CG-CD2 4Å; K654-W659 HydrophobicContact CG-CE3 4.42Å; K654-W659 HydrophobicContact CG-CG 4.31Å; K654-W659 HydrophobicContact CG-CZ2 4.22Å
660	G	92.9	Very high	90.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.9	174.6	0	0	0	0	0	111.7	E652 V653 P699 W701	E652-G660 CarbonylContact C-O 3.53Å; E652-G660 VanDerWaalsContact CA-O 3.28Å; E652-G660 WeakPolarHBondContact CA-O 3.1Å; V653-G660 PolarHBondContact N-O 2.93Å; V653-G660 PolarHBondContact O-N 2.95Å; G660-P699 CarbonylContact C-O 3.53Å; G660-P699 WeakPolarHBondContact CA-O 3.33Å; G660-W701 VanDerWaalsContact CA-CD1 3.43Å
661	S	94.3	Very high	90.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	174.1	179.1	52.9	0	0	0	0	112.5	P699 I700 W701 H729 D732	S661-P699 PolarHBondContact N-O 2.79Å; S661-I700 CarbonylContact O-C 3.34Å; S661-I700 WeakPolarHBondContact O-CA 3.44Å; S661-W701 PolarHBondContact O-N 3.24Å; S661-H729 PolarHBondContact OG-ND1 2.98Å; S661-D732 VanDerWaalsContact CB-CG 3.41Å; S661-D732 WeakPolarHBondContact CB-OD1 3.14Å; S661-D732 PolarHBondContact OG-OD1 2.96Å; S661-D732 PolarHBondContact OG-OD2 2.82Å
662	V	94.3	Very high	90.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.9	172.5	177.4	0	0	0	0	108.7	I651 V653 F667 L702 V733	I651-V662 HydrophobicContact CB-CB 4.43Å; I651-V662 HydrophobicContact CB-CG2 4.41Å; I651-V662 HydrophobicContact CG2-CB 4.29Å; I651-V662 HydrophobicContact CG2-CG2 3.77Å; V653-V662 HydrophobicContact CG2-CG2 3.48Å; V653-V662 VanDerWaalsContact CG2-CG2 3.48Å; V662-F667 HydrophobicContact CG1-CD2 3.53Å; V662-F667 HydrophobicContact CG1-CE2 3.88Å; V662-F667 HydrophobicContact CG1-CG 4.39Å; V662-L702 HydrophobicContact CG1-CB 4.07Å; V662-L702 HydrophobicContact CG2-CB 4.18Å; V662-L702 HydrophobicContact CG2-CD1 4.22Å; V662-V733 HydrophobicContact CB-CG1 3.84Å; V662-V733 HydrophobicContact CG1-CG1 3.83Å; V662-V733 WeakPolarHBondContact O-CG1 3.49Å; V662-V733 PolarHBondContact O-N 2.9Å
663	C	90.7	Very high	90.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-79.9	140.8	178.2	179.7	0	0	0	0	111.8	S665 F667 I700 L702 Q703 C727 E731	C663-S665 VanDerWaalsContact C-N 3.27Å; C663-S665 PolarHBondContact O-N 2.78Å; C663-S665 VanDerWaalsContact SG-CB 3.51Å; C663-S665 PolarHBondContact SG-N 2.04Å; C663-F667 WeakPolarHBondContact O-CB 3.46Å; C663-I700 HydrophobicContact CB-CG2 3.94Å; C663-L702 PolarHBondContact N-O 2.92Å; C663-Q703 HydrophobicContact CB-CB 4.25Å; C663-Q703 HydrophobicContact CB-CG 4.43Å; C663-C727 HydrophobicContact CB-CB 3.66Å; C663-C727 WeakPolarHBondContact CB-SG 3.29Å; C663-C727 WeakPolarHBondContact SG-CB 3.31Å; C663-C727 CovalentContact SG-SG 2.02Å; C663-C727 PolarHBondContact SG-SG 3.11Å; C663-E731 CarbonylContact C-O 3.5Å; C663-E731 WeakPolarHBondContact CA-O 3.18Å
664	S	89.3	Confident	90.3	Very high	21 Å²	21	29.1 Å²	29.1	15%	0.147	17%	0.169	C	C	.	.	S	Bend	trans	-71.6	-17.9	176.1	55.7	0	0	0	0	114	G666 F667 N690 E731	S664-G666 PolarHBondContact O-N 3.41Å; S664-F667 PolarHBondContact O-N 2.86Å; S664-N690 PolarHBondContact OG-OD1 3.02Å; S664-E731 PolarHBondContact N-O 2.95Å; S664-E731 PolarHBondContact OG-O 3.41Å; S664-E731 VanDerWaalsContact OG-O 3.1Å
665	S	82.7	Confident	90.3	Very high	28 Å²	28	26.7 Å²	26.7	20%	0.196	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	103.3	177.3	-171.8	0	0	0	0	111.3	C663 F667 Q703	C663-S665 VanDerWaalsContact C-N 3.27Å; C663-S665 PolarHBondContact O-N 2.78Å; C663-S665 VanDerWaalsContact SG-CB 3.51Å; C663-S665 PolarHBondContact SG-N 2.04Å; S665-F667 VanDerWaalsContact C-N 3.3Å; S665-F667 PolarHBondContact O-N 3.38Å; S665-Q703 WeakPolarHBondContact O-CG 3.22Å
666	G	80.1	Confident	90.4	Very high	33 Å²	33	26 Å²	26	34%	0.34	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	20.2	-179.7	0	0	0	0	0	114.9	S664	S664-G666 PolarHBondContact O-N 3.41Å
667	F	87.7	Confident	90.4	Very high	16 Å²	16	29.6 Å²	29.6	7%	0.07	17%	0.17	C	C	.	.			trans	-77.5	127.5	163.9	-174.4	-95.4	0	0	0	109.2	I651 V662 C663 S664 S665 D671 A672 I675 I687 P705 V733 I735	I651-F667 HydrophobicContact CD1-CE1 3.79Å; I651-F667 HydrophobicContact CD1-CE2 3.97Å; I651-F667 HydrophobicContact CD1-CZ 3.32Å; V662-F667 HydrophobicContact CG1-CD2 3.53Å; V662-F667 HydrophobicContact CG1-CE2 3.88Å; V662-F667 HydrophobicContact CG1-CG 4.39Å; C663-F667 WeakPolarHBondContact O-CB 3.46Å; S664-F667 PolarHBondContact O-N 2.86Å; S665-F667 VanDerWaalsContact C-N 3.3Å; S665-F667 PolarHBondContact O-N 3.38Å; F667-D671 HydrophobicContact CD2-CB 3.85Å; F667-D671 HydrophobicContact CE2-CB 3.54Å; F667-D671 HydrophobicContact CG-CB 4.45Å; F667-D671 HydrophobicContact CZ-CB 3.91Å; F667-A672 HydrophobicContact CE1-CB 3.82Å; F667-A672 HydrophobicContact CZ-CB 4.14Å; F667-I675 HydrophobicContact CE2-CD1 3.89Å; F667-I675 HydrophobicContact CZ-CD1 3.96Å; F667-I687 HydrophobicContact CD1-CD1 4.02Å; F667-I687 HydrophobicContact CD1-CG1 4.36Å; F667-I687 HydrophobicContact CD1-CG2 4.26Å; F667-I687 HydrophobicContact CE1-CD1 4.25Å; F667-I687 HydrophobicContact CE1-CG1 4.29Å; F667-P705 HydrophobicContact CD2-CG 3.92Å; F667-P705 HydrophobicContact CE2-CG 4.22Å; F667-V733 HydrophobicContact CB-CG2 4.44Å; F667-V733 HydrophobicContact CD1-CB 4.48Å; F667-V733 HydrophobicContact CD1-CG1 4.04Å; F667-V733 HydrophobicContact CD1-CG2 3.77Å; F667-V733 HydrophobicContact CD2-CG1 4.23Å; F667-V733 HydrophobicContact CE1-CG1 4.25Å; F667-V733 HydrophobicContact CE1-CG2 4.34Å; F667-V733 HydrophobicContact CE2-CG1 4.45Å; F667-V733 HydrophobicContact CG-CG1 4.02Å; F667-V733 HydrophobicContact CG-CG2 4.25Å; F667-V733 HydrophobicContact CZ-CG1 4.47Å; F667-I735 HydrophobicContact CE1-CG2 4.01Å
668	T	85	Confident	90.6	Very high	54 Å²	54	29.1 Å²	29.1	33%	0.331	15%	0.154	S	C	.	.			trans	-110.9	167	-169.1	69.4	0	0	0	0	112.7	D670 D671 A672 I687	T668-D670 PolarHBondContact O-N 3.28Å; T668-D670 PolarHBondContact OG1-N 2.88Å; T668-D671 WeakPolarHBondContact CB-OD2 3.41Å; T668-D671 PolarHBondContact N-OD2 3.29Å; T668-D671 PolarHBondContact O-N 3.09Å; T668-D671 PolarHBondContact OG1-N 2.95Å; T668-D671 PolarHBondContact OG1-OD2 3.04Å; T668-A672 PolarHBondContact O-N 3.33Å; T668-I687 VanDerWaalsContact C-CD1 3.46Å
669	V	85.8	Confident	90.8	Very high	68 Å²	68	28.5 Å²	28.5	41%	0.412	15%	0.151	S	C	.	.	H	α-helix	trans	-61.3	-30.5	173.9	-179.9	0	0	0	0	111.1	A672 K673 P685 I687	V669-A672 WeakPolarHBondContact O-CB 3.23Å; V669-A672 PolarHBondContact O-N 2.79Å; V669-K673 WeakPolarHBondContact O-CG 3.45Å; V669-K673 PolarHBondContact O-N 2.89Å; V669-P685 HydrophobicContact CG1-CG 4.19Å; V669-I687 HydrophobicContact CG2-CD1 3.99Å
670	D	90	Very high	90.7	Very high	57 Å²	57	34.5 Å²	34.5	31%	0.305	18%	0.179	S	C	.	.	H	α-helix	trans	-74.8	-37.7	177.7	-64.8	-43.6	0	0	0	112.1	T668 A672 K673 V674	T668-D670 PolarHBondContact O-N 3.28Å; T668-D670 PolarHBondContact OG1-N 2.88Å; D670-A672 VanDerWaalsContact C-N 3.29Å; D670-A672 PolarHBondContact O-N 2.8Å; D670-K673 PolarHBondContact O-N 2.87Å; D670-K673 IonicContact OD1-NZ 3.59Å; D670-K673 PolarHBondContact OD1-NZ 3.24Å; D670-V674 PolarHBondContact O-N 3.37Å
671	D	93.1	Very high	90.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-60.3	-41.3	167.5	-53.1	-61.1	0	0	0	111.1	F667 T668 V674 I675 P705 G706 C707	F667-D671 HydrophobicContact CD2-CB 3.85Å; F667-D671 HydrophobicContact CE2-CB 3.54Å; F667-D671 HydrophobicContact CG-CB 4.45Å; F667-D671 HydrophobicContact CZ-CB 3.91Å; T668-D671 WeakPolarHBondContact CB-OD2 3.41Å; T668-D671 PolarHBondContact N-OD2 3.29Å; T668-D671 PolarHBondContact O-N 3.09Å; T668-D671 PolarHBondContact OG1-N 2.95Å; T668-D671 PolarHBondContact OG1-OD2 3.04Å; D671-V674 PolarHBondContact O-N 3.23Å; D671-I675 PolarHBondContact O-N 2.95Å; D671-I675 VanDerWaalsContact O-N 3.14Å; D671-P705 HydrophobicContact CB-CB 4.48Å; D671-P705 HydrophobicContact CB-CG 4.13Å; D671-P705 WeakPolarHBondContact OD1-CB 3.19Å; D671-G706 PolarHBondContact OD1-N 2.9Å; D671-C707 WeakPolarHBondContact OD1-CB 3.42Å; D671-C707 PolarHBondContact OD1-N 2.81Å; D671-C707 PolarHBondContact OD1-SG 3.44Å; D671-C707 VanDerWaalsContact OD1-SG 3.39Å
672	A	92.6	Very high	89.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-38.6	177.5	0	0	0	0	0	112.7	F667 T668 V669 D670 I675 C676 P685 I687 I735	F667-A672 HydrophobicContact CE1-CB 3.82Å; F667-A672 HydrophobicContact CZ-CB 4.14Å; T668-A672 PolarHBondContact O-N 3.33Å; V669-A672 WeakPolarHBondContact O-CB 3.23Å; V669-A672 PolarHBondContact O-N 2.79Å; D670-A672 VanDerWaalsContact C-N 3.29Å; D670-A672 PolarHBondContact O-N 2.8Å; A672-I675 PolarHBondContact O-N 3.04Å; A672-C676 WeakPolarHBondContact O-CB 3.25Å; A672-C676 PolarHBondContact O-N 3.49Å; A672-C676 PolarHBondContact O-SG 2.88Å; A672-C676 VanDerWaalsContact O-SG 3.36Å; A672-P685 HydrophobicContact CB-CB 3.67Å; A672-P685 HydrophobicContact CB-CG 3.74Å; A672-I687 HydrophobicContact CB-CD1 4.28Å; A672-I687 HydrophobicContact CB-CG1 4.11Å; A672-I735 HydrophobicContact CB-CG2 4.05Å
673	K	91.9	Very high	88.5	Confident	82 Å²	82	44.9 Å²	44.9	36%	0.357	24%	0.235	S	C	.	.	H	α-helix	trans	-60.5	-44.1	174.7	-74.9	169.6	-169.9	160.7	0	111.6	V669 D670 I675 C676 R677 P685	V669-K673 WeakPolarHBondContact O-CG 3.45Å; V669-K673 PolarHBondContact O-N 2.89Å; D670-K673 PolarHBondContact O-N 2.87Å; D670-K673 IonicContact OD1-NZ 3.59Å; D670-K673 PolarHBondContact OD1-NZ 3.24Å; K673-I675 VanDerWaalsContact C-N 3.34Å; K673-C676 PolarHBondContact O-N 3.35Å; K673-R677 VanDerWaalsContact O-CB 3.3Å; K673-R677 WeakPolarHBondContact O-CB 3.47Å; K673-R677 PolarHBondContact O-N 2.86Å; K673-P685 HydrophobicContact CG-CG 3.9Å
674	V	94.3	Very high	87.8	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-42.7	177.9	176.6	0	0	0	0	110.6	D670 D671 R677 M678 C707 E711 L714	D670-V674 PolarHBondContact O-N 3.37Å; D671-V674 PolarHBondContact O-N 3.23Å; V674-R677 PolarHBondContact O-N 2.9Å; V674-M678 HydrophobicContact CG1-SD 4.46Å; V674-M678 WeakPolarHBondContact O-CG 3.37Å; V674-M678 PolarHBondContact O-N 3.46Å; V674-C707 HydrophobicContact CG2-CB 3.84Å; V674-E711 HydrophobicContact CG1-CB 4.22Å; V674-E711 HydrophobicContact CG2-CB 3.94Å; V674-E711 WeakPolarHBondContact CG2-OE2 3.22Å; V674-L714 HydrophobicContact CG1-CD2 4.47Å
675	I	94.5	Very high	87.6	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-44.6	178.4	-66.5	-176.3	0	0	0	111.8	I651 F667 D671 A672 K673 R677 M678 L679 L714 I735	I651-I675 HydrophobicContact CD1-CD1 3.86Å; I651-I675 HydrophobicContact CD1-CG2 4.44Å; I651-I675 HydrophobicContact CG2-CD1 3.76Å; I651-I675 HydrophobicContact CG2-CG2 4.41Å; F667-I675 HydrophobicContact CE2-CD1 3.89Å; F667-I675 HydrophobicContact CZ-CD1 3.96Å; D671-I675 PolarHBondContact O-N 2.95Å; D671-I675 VanDerWaalsContact O-N 3.14Å; A672-I675 PolarHBondContact O-N 3.04Å; K673-I675 VanDerWaalsContact C-N 3.34Å; I675-R677 VanDerWaalsContact C-N 3.29Å; I675-R677 PolarHBondContact O-N 3Å; I675-M678 PolarHBondContact O-N 3.15Å; I675-L679 HydrophobicContact CG2-CD1 3.89Å; I675-L679 VanDerWaalsContact O-CG 3.3Å; I675-L679 WeakPolarHBondContact O-CG 3.22Å; I675-L679 PolarHBondContact O-N 3.19Å; I675-L714 HydrophobicContact CD1-CD1 4.03Å; I675-L714 HydrophobicContact CD1-CD2 4.13Å; I675-L714 HydrophobicContact CG1-CD1 4.05Å; I675-L714 HydrophobicContact CG1-CD2 3.91Å; I675-L714 HydrophobicContact CG1-CG 4.14Å; I675-I735 HydrophobicContact CB-CD1 4.34Å; I675-I735 HydrophobicContact CG2-CD1 3.85Å
676	C	93.9	Very high	87.7	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-59.5	-40.2	174.6	-70	0	0	0	0	112.1	A672 K673 L679 K680 H681 C737	A672-C676 WeakPolarHBondContact O-CB 3.25Å; A672-C676 PolarHBondContact O-N 3.49Å; A672-C676 PolarHBondContact O-SG 2.88Å; A672-C676 VanDerWaalsContact O-SG 3.36Å; K673-C676 PolarHBondContact O-N 3.35Å; C676-L679 CarbonylContact O-C 3.48Å; C676-L679 WeakPolarHBondContact O-CA 3.3Å; C676-L679 WeakPolarHBondContact O-CB 3.39Å; C676-L679 PolarHBondContact O-N 2.93Å; C676-L679 VanDerWaalsContact O-N 3.13Å; C676-K680 PolarHBondContact O-N 3.24Å; C676-H681 CarbonylContact C-O 3.57Å; C676-H681 VanDerWaalsContact C-O 3.27Å; C676-H681 HydrophobicContact CB-CB 4.32Å; C676-H681 PolarHBondContact O-N 3.25Å; C676-C737 WeakPolarHBondContact CA-SG 3.36Å; C676-C737 HydrophobicContact CB-CB 3.69Å; C676-C737 WeakPolarHBondContact CB-SG 3.38Å; C676-C737 VanDerWaalsContact SG-CA 3.53Å; C676-C737 WeakPolarHBondContact SG-CB 2.97Å; C676-C737 CovalentContact SG-SG 2.03Å; C676-C737 PolarHBondContact SG-SG 2.88Å
677	R	92.4	Very high	88	Confident	91 Å²	91	53.4 Å²	53.4	34%	0.343	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-41.9	174.6	-171.3	-177.6	-58.6	151.8	5.3	112.8	K673 V674 I675 L679 K680 G709 D710 E711	K673-R677 VanDerWaalsContact O-CB 3.3Å; K673-R677 WeakPolarHBondContact O-CB 3.47Å; K673-R677 PolarHBondContact O-N 2.86Å; V674-R677 PolarHBondContact O-N 2.9Å; I675-R677 VanDerWaalsContact C-N 3.29Å; I675-R677 PolarHBondContact O-N 3Å; R677-L679 PolarHBondContact O-N 2.82Å; R677-K680 WeakPolarHBondContact O-CA 3.46Å; R677-K680 PolarHBondContact O-N 3.28Å; R677-G709 PolarHBondContact NH1-O 3.19Å; R677-G709 PolarHBondContact NH2-O 2.95Å; R677-D710 PolarHBondContact NH1-O 3.49Å; R677-E711 PolarHBondContact NH1-O 3.19Å
678	M	94.3	Very high	87.9	Confident	42 Å²	42	54.5 Å²	54.5	21%	0.207	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-32.9	172.5	-72.7	-179.9	74.7	0	0	112	V636 V638 V674 I675 K680 K712 L714	V636-M678 VanDerWaalsContact O-CE 3.26Å; V636-M678 WeakPolarHBondContact O-CE 3.47Å; V638-M678 HydrophobicContact CG1-CE 3.81Å; V638-M678 HydrophobicContact CG1-SD 4.02Å; V638-M678 HydrophobicContact CG2-CB 3.58Å; V638-M678 HydrophobicContact CG2-CE 4.14Å; V638-M678 HydrophobicContact CG2-SD 4.36Å; V674-M678 HydrophobicContact CG1-SD 4.46Å; V674-M678 WeakPolarHBondContact O-CG 3.37Å; V674-M678 PolarHBondContact O-N 3.46Å; I675-M678 PolarHBondContact O-N 3.15Å; M678-K680 VanDerWaalsContact C-N 3.26Å; M678-K680 PolarHBondContact O-N 2.83Å; M678-K712 WeakPolarHBondContact CG-O 3.42Å; M678-L714 HydrophobicContact SD-CB 4.29Å; M678-L714 HydrophobicContact SD-CD1 4.43Å; M678-L714 HydrophobicContact SD-CG 3.9Å; M678-L714 PolarHBondContact SD-N 3.17Å; M678-L714 VanDerWaalsContact SD-N 3.37Å
679	L	93.2	Very high	87.7	Confident	39 Å²	39	55 Å²	55	20%	0.204	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.2	172.9	-63.8	164.8	0	0	0	113.7	V638 L640 I675 C676 R677	V638-L679 HydrophobicContact CG2-CD2 3.89Å; V638-L679 HydrophobicContact CG2-CG 3.91Å; L640-L679 HydrophobicContact CD1-CD1 3.77Å; L640-L679 HydrophobicContact CD2-CD1 3.94Å; L640-L679 HydrophobicContact CG-CD1 3.59Å; I675-L679 HydrophobicContact CG2-CD1 3.89Å; I675-L679 VanDerWaalsContact O-CG 3.3Å; I675-L679 WeakPolarHBondContact O-CG 3.22Å; I675-L679 PolarHBondContact O-N 3.19Å; C676-L679 CarbonylContact O-C 3.48Å; C676-L679 WeakPolarHBondContact O-CA 3.3Å; C676-L679 WeakPolarHBondContact O-CB 3.39Å; C676-L679 PolarHBondContact O-N 2.93Å; C676-L679 VanDerWaalsContact O-N 3.13Å; R677-L679 PolarHBondContact O-N 2.82Å
680	K	91.9	Very high	87.4	Confident	191 Å²	191	56.9 Å²	56.9	83%	0.83	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	28.7	-178.4	-49.6	177.4	-176.9	176.5	0	115.1	C676 R677 M678	C676-K680 PolarHBondContact O-N 3.24Å; R677-K680 WeakPolarHBondContact O-CA 3.46Å; R677-K680 PolarHBondContact O-N 3.28Å; M678-K680 VanDerWaalsContact C-N 3.26Å; M678-K680 PolarHBondContact O-N 2.83Å
681	H	88.3	Confident	86.7	Confident	58 Å²	58	55 Å²	55	27%	0.269	28%	0.28	S	S	.	.			trans	-106.2	136.9	170.5	-62.5	-73.8	0	0	0	111.3	C676 C737	C676-H681 CarbonylContact C-O 3.57Å; C676-H681 VanDerWaalsContact C-O 3.27Å; C676-H681 HydrophobicContact CB-CB 4.32Å; C676-H681 PolarHBondContact O-N 3.25Å; H681-C737 HydrophobicContact CB-CB 3.47Å; H681-C737 VanDerWaalsContact CB-CB 3.47Å
682	N	76.1	Confident	86	Confident	146 Å²	146	60.7 Å²	60.7	78%	0.781	30%	0.304	S	S	*	.			trans	-108.1	1.2	-179.3	-75.5	-8.5	0	0	0	114.2
683	G	70	Confident	85.5	Confident	13 Å²	13	62.1 Å²	62.1	13%	0.134	31%	0.311	C	S	.	.	S	Bend	trans	-70.1	168.4	179.7	0	0	0	0	0	113.7	P685 C737	G683-P685 VanDerWaalsContact O-CD 3.3Å; G683-P685 WeakPolarHBondContact O-CD 3.23Å; G683-C737 WeakPolarHBondContact CA-O 3.43Å
684	T	76	Confident	84.9	Confident	87 Å²	87	59.8 Å²	59.8	53%	0.534	31%	0.31	S	S	.	.			trans	-77.1	112.6	178.3	-61.9	0	0	0	0	109.9	M686 A738	T684-M686 PolarHBondContact O-N 3.07Å; T684-A738 PolarHBondContact N-O 3.27Å
685	P	85.7	Confident	84.2	Confident	9 Å²	9	63 Å²	63	6%	0.058	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-69.7	136	-172.8	26.4	-33.7	0	0	0	112.7	V669 A672 K673 G683 T736	V669-P685 HydrophobicContact CG1-CG 4.19Å; A672-P685 HydrophobicContact CB-CB 3.67Å; A672-P685 HydrophobicContact CB-CG 3.74Å; K673-P685 HydrophobicContact CG-CG 3.9Å; G683-P685 VanDerWaalsContact O-CD 3.3Å; G683-P685 WeakPolarHBondContact O-CD 3.23Å; P685-T736 CarbonylContact C-O 3.54Å; P685-T736 VanDerWaalsContact CA-O 3.22Å; P685-T736 WeakPolarHBondContact CA-O 3.03Å
686	M	84.9	Confident	83.6	Confident	113 Å²	113	63.6 Å²	63.6	56%	0.557	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.1	164.8	-49.7	179.1	73.2	0	0	109.8	T684 I735 T736	T684-M686 PolarHBondContact O-N 3.07Å; M686-I735 CarbonylContact O-C 3.49Å; M686-I735 WeakPolarHBondContact O-CA 3.5Å; M686-I735 WeakPolarHBondContact O-CB 3.48Å; M686-T736 HydrophobicContact CB-CG2 3.77Å; M686-T736 HydrophobicContact CG-CG2 4.02Å; M686-T736 PolarHBondContact N-O 2.03Å; M686-T736 PolarHBondContact O-N 3.06Å; M686-T736 HydrophobicContact SD-CG2 4.11Å
687	I	86.4	Confident	82.9	Confident	52 Å²	52	73.4 Å²	73.4	27%	0.267	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.7	179	-59.8	169.1	0	0	0	110.1	F667 T668 V669 A672 V733 I735	F667-I687 HydrophobicContact CD1-CD1 4.02Å; F667-I687 HydrophobicContact CD1-CG1 4.36Å; F667-I687 HydrophobicContact CD1-CG2 4.26Å; F667-I687 HydrophobicContact CE1-CD1 4.25Å; F667-I687 HydrophobicContact CE1-CG1 4.29Å; T668-I687 VanDerWaalsContact C-CD1 3.46Å; V669-I687 HydrophobicContact CG2-CD1 3.99Å; A672-I687 HydrophobicContact CB-CD1 4.28Å; A672-I687 HydrophobicContact CB-CG1 4.11Å; I687-V733 HydrophobicContact CG2-CG2 3.62Å; I687-I735 HydrophobicContact CG1-CG2 4.11Å
688	Y	85.3	Confident	82.4	Confident	40 Å²	40	69.9 Å²	69.9	16%	0.157	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	105.1	172.6	-57.8	-59.4	0	0	0	109.1	K692 F693 A734 T736	Y688-K692 HydrophobicContact CD1-CD 3.73Å; Y688-K692 HydrophobicContact CD2-CD 4.2Å; Y688-K692 HydrophobicContact CE1-CD 4.48Å; Y688-K692 HydrophobicContact CG-CD 3.56Å; Y688-F693 AromaticContact CD2-CE2 3.77Å; Y688-F693 HydrophobicContact CD2-CE2 3.77Å; Y688-F693 HydrophobicContact CD2-CZ 4.31Å; Y688-F693 HydrophobicContact CE2-CE2 4.34Å; Y688-F693 HydrophobicContact CE2-CZ 4.45Å; Y688-F693 HydrophobicContact CG-CE2 4.41Å; Y688-A734 PolarHBondContact N-O 2.9Å; Y688-A734 PolarHBondContact O-N 2.92Å; Y688-T736 HydrophobicContact CE2-CG2 3.79Å; Y688-T736 WeakPolarHBondContact OH-CG2 3.33Å
689	P	81.1	Confident	82.2	Confident	64 Å²	64	68.1 Å²	68.1	42%	0.416	36%	0.363	S	S	.	.			trans	-75.1	178.2	179	33	-36.5	0	0	0	112	G691	P689-G691 PolarHBondContact O-N 3.4Å
690	N	79.3	Confident	82.1	Confident	108 Å²	108	66.6 Å²	66.6	58%	0.578	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	47.8	162	-55.5	-19.1	0	0	0	115.8	S664 K692 A730	S664-N690 PolarHBondContact OG-OD1 3.02Å; N690-K692 VanDerWaalsContact C-N 3.35Å; N690-K692 PolarHBondContact O-N 3.27Å; N690-A730 CarbonylContact C-O 3.57Å; N690-A730 WeakPolarHBondContact CA-O 3.33Å
691	G	75.5	Confident	82.2	Confident	16 Å²	16	57.5 Å²	57.5	17%	0.165	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	25	165.2	0	0	0	0	0	115.3	P689 F693 G694 A730 D732	P689-G691 PolarHBondContact O-N 3.4Å; G691-F693 PolarHBondContact O-N 2.6Å; G691-G694 WeakPolarHBondContact O-CA 3.1Å; G691-G694 PolarHBondContact O-N 3.06Å; G691-A730 PolarHBondContact N-O 2.96Å; G691-D732 WeakPolarHBondContact CA-O 3.44Å; G691-D732 PolarHBondContact N-O 3.48Å
692	K	77.9	Confident	82.4	Confident	121 Å²	121	54.9 Å²	54.9	53%	0.526	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-31.3	-173.4	-175.2	173.8	-176.6	171.3	0	115.3	Y688 N690	Y688-K692 HydrophobicContact CD1-CD 3.73Å; Y688-K692 HydrophobicContact CD2-CD 4.2Å; Y688-K692 HydrophobicContact CE1-CD 4.48Å; Y688-K692 HydrophobicContact CG-CD 3.56Å; N690-K692 VanDerWaalsContact C-N 3.35Å; N690-K692 PolarHBondContact O-N 3.27Å
693	F	82.5	Confident	82.9	Confident	30 Å²	30	50.2 Å²	50.2	13%	0.132	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	29	178.3	-58.8	-92	0	0	0	112.3	N642 K648 R650 Y688 G691 A734	N642-F693 HydrophobicContact CB-CB 3.92Å; N642-F693 WeakPolarHBondContact CB-O 3.26Å; N642-F693 PolarHBondContact ND2-O 2.84Å; N642-F693 VanDerWaalsContact O-CD1 3.31Å; N642-F693 WeakPolarHBondContact O-CD1 3.39Å; K648-F693 HydrophobicContact CD-CZ 4.39Å; K648-F693 HydrophobicContact CG-CE1 4.26Å; K648-F693 HydrophobicContact CG-CZ 3.82Å; R650-F693 HydrophobicContact CB-CB 4.35Å; R650-F693 PolarHBondContact NH1-O 2.84Å; Y688-F693 AromaticContact CD2-CE2 3.77Å; Y688-F693 HydrophobicContact CD2-CE2 3.77Å; Y688-F693 HydrophobicContact CD2-CZ 4.31Å; Y688-F693 HydrophobicContact CE2-CE2 4.34Å; Y688-F693 HydrophobicContact CE2-CZ 4.45Å; Y688-F693 HydrophobicContact CG-CE2 4.41Å; G691-F693 PolarHBondContact O-N 2.6Å; F693-A734 HydrophobicContact CD2-CB 3.35Å; F693-A734 HydrophobicContact CE2-CB 3.72Å
694	G	79.2	Confident	83.6	Confident	34 Å²	34	55.2 Å²	55.2	35%	0.351	30%	0.297	S	S	.	.			trans	82	165.8	-177	0	0	0	0	0	113.6	R650 G691	R650-G694 WeakPolarHBondContact CD-O 3.28Å; R650-G694 PolarHBondContact NH1-O 3.37Å; G691-G694 WeakPolarHBondContact O-CA 3.1Å; G691-G694 PolarHBondContact O-N 3.06Å
695	S	79.1	Confident	84	Confident	68 Å²	68	51.1 Å²	51.1	48%	0.476	27%	0.272	S	S	.	.			trans	-84.6	145.8	-178.5	-66.7	0	0	0	0	113.5	H729	S695-H729 WeakPolarHBondContact CB-O 3.22Å; S695-H729 PolarHBondContact OG-O 3.46Å
696	S	82.5	Confident	84	Confident	13 Å²	13	52.5 Å²	52.5	9%	0.091	29%	0.288	C	S	.	.			trans	-71.5	166.8	166.8	-176.6	0	0	0	0	112.2	G698 H729 D732	S696-G698 PolarHBondContact OG-N 2.82Å; S696-H729 PolarHBondContact O-CD2 2.85Å; S696-H729 VanDerWaalsContact O-CD2 3.24Å; S696-D732 VanDerWaalsContact CB-OD2 3.29Å; S696-D732 WeakPolarHBondContact CB-OD2 3.49Å; S696-D732 PolarHBondContact N-OD2 3.07Å
697	K	79.6	Confident	84.3	Confident	206 Å²	206	47.7 Å²	47.7	90%	0.896	27%	0.265	S	S	*	.	S	Bend	trans	-113.7	-3.1	172.5	-64.3	-175.8	179	-179.4	0	113.4
698	G	82.6	Confident	84.4	Confident	17 Å²	17	49 Å²	49	18%	0.175	28%	0.279	C	S	.	.	S	Bend	trans	-96.6	-162.3	-175.6	0	0	0	0	0	114	S696 H729	S696-G698 PolarHBondContact OG-N 2.82Å; G698-H729 PolarHBondContact O-CE1 2.04Å; G698-H729 PolarHBondContact O-NE2 3.18Å
699	P	90.3	Very high	84.5	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.039	28%	0.276	C	S	.	.			trans	-59.8	163.2	163.4	20.9	-29.4	0	0	0	112.6	F611 I658 G660 S661 W701	F611-P699 HydrophobicContact CB-CB 4.24Å; F611-P699 HydrophobicContact CD2-CB 3.64Å; F611-P699 HydrophobicContact CD2-CG 4.11Å; F611-P699 HydrophobicContact CE2-CB 4.09Å; F611-P699 HydrophobicContact CE2-CG 4.13Å; F611-P699 HydrophobicContact CG-CB 3.95Å; F611-P699 HydrophobicContact CG-CG 4.34Å; F611-P699 HydrophobicContact CZ-CG 4.44Å; I658-P699 HydrophobicContact CG2-CG 3.83Å; G660-P699 CarbonylContact C-O 3.53Å; G660-P699 WeakPolarHBondContact CA-O 3.33Å; S661-P699 PolarHBondContact N-O 2.79Å; P699-W701 HydrophobicContact CB-CD2 4.18Å; P699-W701 HydrophobicContact CB-CE3 4.41Å; P699-W701 HydrophobicContact CB-CH2 4.37Å; P699-W701 HydrophobicContact CB-CZ2 4.17Å; P699-W701 HydrophobicContact CB-CZ3 4.49Å; P699-W701 HydrophobicContact CG-CD2 4.06Å; P699-W701 VanDerWaalsContact CG-CE2 3.44Å; P699-W701 HydrophobicContact CG-CH2 4.04Å; P699-W701 HydrophobicContact CG-CZ2 3.44Å; P699-W701 VanDerWaalsContact CG-CZ2 3.44Å
700	I	90.9	Very high	85	Confident	6 Å²	6	50 Å²	50	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	108	160.1	-57.5	177.7	0	0	0	105.5	S661 C663 N725 C727 H729	S661-I700 CarbonylContact O-C 3.34Å; S661-I700 WeakPolarHBondContact O-CA 3.44Å; C663-I700 HydrophobicContact CB-CG2 3.94Å; I700-N725 HydrophobicContact CG2-CB 4.23Å; I700-N725 PolarHBondContact O-ND2 3.44Å; I700-C727 HydrophobicContact CD1-CB 4Å; I700-C727 WeakPolarHBondContact CD1-O 3.4Å; I700-H729 WeakPolarHBondContact CG1-CE1 3.39Å
701	W	93.1	Very high	85.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-36.5	-169.2	-81.6	132.8	0	0	0	113.8	F611 I614 V653 Y655 I658 G660 S661 P699 W722 G723	F611-W701 HydrophobicContact CB-CH2 4.24Å; F611-W701 HydrophobicContact CB-CZ3 4.14Å; F611-W701 AromaticContact CD1-CH2 3.94Å; F611-W701 HydrophobicContact CD1-CH2 3.94Å; F611-W701 HydrophobicContact CG-CH2 4.32Å; I614-W701 HydrophobicContact CD1-CH2 4.33Å; V653-W701 PolarHBondContact O-NE1 3.08Å; Y655-W701 HydrophobicContact CD1-CD2 4.45Å; Y655-W701 HydrophobicContact CD1-CE3 4.05Å; Y655-W701 HydrophobicContact CD1-CH2 4.03Å; Y655-W701 HydrophobicContact CD1-CZ2 4.37Å; Y655-W701 AromaticContact CD1-CZ3 3.84Å; Y655-W701 HydrophobicContact CD1-CZ3 3.84Å; I658-W701 HydrophobicContact CB-CZ2 3.98Å; I658-W701 HydrophobicContact CG2-CZ2 3.99Å; I658-W701 PolarHBondContact O-NE1 3.39Å; G660-W701 VanDerWaalsContact CA-CD1 3.43Å; S661-W701 PolarHBondContact O-N 3.24Å; P699-W701 HydrophobicContact CB-CD2 4.18Å; P699-W701 HydrophobicContact CB-CE3 4.41Å; P699-W701 HydrophobicContact CB-CH2 4.37Å; P699-W701 HydrophobicContact CB-CZ2 4.17Å; P699-W701 HydrophobicContact CB-CZ3 4.49Å; P699-W701 HydrophobicContact CG-CD2 4.06Å; P699-W701 VanDerWaalsContact CG-CE2 3.44Å; P699-W701 HydrophobicContact CG-CH2 4.04Å; P699-W701 HydrophobicContact CG-CZ2 3.44Å; P699-W701 VanDerWaalsContact CG-CZ2 3.44Å; W701-W722 HydrophobicContact CB-CE3 3.99Å; W701-W722 HydrophobicContact CB-CZ3 4.27Å; W701-W722 HydrophobicContact CD2-CE3 4.42Å; W701-W722 HydrophobicContact CE3-CB 4.1Å; W701-W722 HydrophobicContact CE3-CE3 4.44Å; W701-W722 HydrophobicContact CG-CE3 4.25Å; W701-W722 HydrophobicContact CZ3-CB 4.44Å; W701-G723 PolarHBondContact O-N 3.48Å
702	L	92.2	Very high	86.3	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.3	-169.3	-58.5	174.1	0	0	0	111	V653 V662 C663 P705 L714 I719 W722	V653-L702 HydrophobicContact CG2-CD1 4.4Å; V662-L702 HydrophobicContact CG1-CB 4.07Å; V662-L702 HydrophobicContact CG2-CB 4.18Å; V662-L702 HydrophobicContact CG2-CD1 4.22Å; C663-L702 PolarHBondContact N-O 2.92Å; L702-P705 HydrophobicContact CB-CG 4.22Å; L702-P705 HydrophobicContact CD1-CB 4.39Å; L702-P705 HydrophobicContact CD1-CG 4.33Å; L702-L714 HydrophobicContact CD1-CD1 4.01Å; L702-L714 HydrophobicContact CD1-CD2 4.45Å; L702-I719 HydrophobicContact CD1-CD1 4.26Å; L702-I719 HydrophobicContact CD2-CB 4.5Å; L702-I719 HydrophobicContact CD2-CD1 3.77Å; L702-I719 HydrophobicContact CD2-CG1 4.11Å; L702-I719 HydrophobicContact CD2-CG2 3.58Å; L702-W722 HydrophobicContact CD1-CH2 4.28Å; L702-W722 HydrophobicContact CD1-CZ3 4.16Å; L702-W722 HydrophobicContact CD2-CD2 4.11Å; L702-W722 HydrophobicContact CD2-CE3 3.83Å; L702-W722 HydrophobicContact CD2-CH2 4.12Å; L702-W722 HydrophobicContact CD2-CZ2 4.41Å; L702-W722 HydrophobicContact CD2-CZ3 3.84Å; L702-W722 HydrophobicContact CG-CE3 4.34Å; L702-W722 HydrophobicContact CG-CZ3 4.06Å
703	Q	87.2	Confident	87	Confident	48 Å²	48	49.5 Å²	49.5	22%	0.224	28%	0.279	C	S	.	.	S	Bend	trans	-130.3	128.2	161.8	179.7	-179.5	-10.4	0	0	105.5	C663 S665 N725	C663-Q703 HydrophobicContact CB-CB 4.25Å; C663-Q703 HydrophobicContact CB-CG 4.43Å; S665-Q703 WeakPolarHBondContact O-CG 3.22Å; Q703-N725 HydrophobicContact CB-CB 3.95Å; Q703-N725 VanDerWaalsContact OE1-CA 3.26Å
704	Q	84.6	Confident	87.5	Confident	118 Å²	118	48 Å²	48	55%	0.551	27%	0.272	S	S	*	.			trans	52.2	69.6	-172.9	-64.4	167.8	0.7	0	0	113.5	G706	Q704-G706 PolarHBondContact O-N 3.3Å
705	P	84.3	Confident	87.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.272	C	S	.	.			trans	-59.1	-31.2	179.9	-14.7	26.1	0	0	0	113.1	F667 D671 L702 L714 R718 I719	F667-P705 HydrophobicContact CD2-CG 3.92Å; F667-P705 HydrophobicContact CE2-CG 4.22Å; D671-P705 HydrophobicContact CB-CB 4.48Å; D671-P705 HydrophobicContact CB-CG 4.13Å; D671-P705 WeakPolarHBondContact OD1-CB 3.19Å; L702-P705 HydrophobicContact CB-CG 4.22Å; L702-P705 HydrophobicContact CD1-CB 4.39Å; L702-P705 HydrophobicContact CD1-CG 4.33Å; P705-L714 HydrophobicContact CB-CD2 4.47Å; P705-R718 CarbonylContact O-C 3.5Å; P705-I719 HydrophobicContact CB-CG1 4.29Å; P705-I719 WeakPolarHBondContact O-CG1 3.39Å; P705-I719 PolarHBondContact O-N 2.86Å
706	G	84.6	Confident	88.4	Confident	38 Å²	38	52.3 Å²	52.3	39%	0.392	28%	0.275	S	S	.	.			trans	74.6	37.7	168.7	0	0	0	0	0	113	D671 Q704 R718	D671-G706 PolarHBondContact OD1-N 2.9Å; Q704-G706 PolarHBondContact O-N 3.3Å; G706-R718 PolarHBondContact O-N 3.09Å
707	C	91.9	Very high	88.8	Confident	13 Å²	13	52.2 Å²	52.2	9%	0.088	27%	0.274	C	S	.	.			trans	-71.6	150	172.8	-57.2	0	0	0	0	111.6	D671 V674 E711 C717	D671-C707 WeakPolarHBondContact OD1-CB 3.42Å; D671-C707 PolarHBondContact OD1-N 2.81Å; D671-C707 PolarHBondContact OD1-SG 3.44Å; D671-C707 VanDerWaalsContact OD1-SG 3.39Å; V674-C707 HydrophobicContact CG2-CB 3.84Å; C707-E711 WeakPolarHBondContact CA-OE1 3.37Å; C707-C717 VanDerWaalsContact CA-SG 3.58Å; C707-C717 HydrophobicContact CB-CB 3.86Å; C707-C717 WeakPolarHBondContact CB-SG 3.44Å; C707-C717 WeakPolarHBondContact SG-CB 3.04Å; C707-C717 CovalentContact SG-SG 2.03Å; C707-C717 PolarHBondContact SG-SG 2.9Å
708	S	88.9	Confident	89.2	Confident	80 Å²	80	50.6 Å²	50.6	56%	0.559	26%	0.262	S	S	*	.			trans	-87.1	-10.8	166.3	40.9	0	0	0	0	113.7	D710 E711	S708-D710 VanDerWaalsContact CB-OD1 3.27Å; S708-D710 WeakPolarHBondContact CB-OD1 3.42Å; S708-D710 PolarHBondContact OG-OD1 2.9Å; S708-E711 VanDerWaalsContact N-CD 3.32Å; S708-E711 PolarHBondContact N-OE1 2.76Å; S708-E711 PolarHBondContact N-OE2 3.32Å; S708-E711 VanDerWaalsContact N-OE2 3.07Å; S708-E711 PolarHBondContact OG-OE1 2.84Å
709	G	87.2	Confident	89.3	Confident	8 Å²	8	51.3 Å²	51.3	8%	0.082	26%	0.261	C	S	.	.	S	Bend	trans	96.8	-4.6	174.1	0	0	0	0	0	113.9	R677 E711	R677-G709 PolarHBondContact NH1-O 3.19Å; R677-G709 PolarHBondContact NH2-O 2.95Å; G709-E711 PolarHBondContact N-OE2 3.45Å
710	D	90.8	Very high	88.5	Confident	116 Å²	116	60.6 Å²	60.6	62%	0.62	30%	0.296	S	S	*	.			trans	-105.3	-6.1	178.5	65	-47.1	0	0	0	113.1	R677 S708	R677-D710 PolarHBondContact NH1-O 3.49Å; S708-D710 VanDerWaalsContact CB-OD1 3.27Å; S708-D710 WeakPolarHBondContact CB-OD1 3.42Å; S708-D710 PolarHBondContact OG-OD1 2.9Å
711	E	93	Very high	88.1	Confident	19 Å²	19	65.5 Å²	65.5	9%	0.089	31%	0.314	C	S	.	.			trans	-64.6	150.7	176.2	-60.2	95.3	148.3	0	0	114	V674 R677 C707 S708 G709 Q716	V674-E711 HydrophobicContact CG1-CB 4.22Å; V674-E711 HydrophobicContact CG2-CB 3.94Å; V674-E711 WeakPolarHBondContact CG2-OE2 3.22Å; R677-E711 PolarHBondContact NH1-O 3.19Å; C707-E711 WeakPolarHBondContact CA-OE1 3.37Å; S708-E711 VanDerWaalsContact N-CD 3.32Å; S708-E711 PolarHBondContact N-OE1 2.76Å; S708-E711 PolarHBondContact N-OE2 3.32Å; S708-E711 VanDerWaalsContact N-OE2 3.07Å; S708-E711 PolarHBondContact OG-OE1 2.84Å; G709-E711 PolarHBondContact N-OE2 3.45Å; E711-Q716 HydrophobicContact CB-CB 3.98Å; E711-Q716 HydrophobicContact CG-CB 3.87Å
712	K	90.6	Very high	87.9	Confident	160 Å²	160	66.8 Å²	66.8	70%	0.696	32%	0.319	S	S	*	.	S	Bend	trans	-88	-24.8	175.3	-62.8	-175.4	180	-178.9	0	112.8	M678	M678-K712 WeakPolarHBondContact CG-O 3.42Å
713	T	92.3	Very high	87.6	Confident	55 Å²	55	67 Å²	67	34%	0.337	32%	0.322	S	S	.	.	S	Bend	trans	-145.2	153.1	-179.5	66.8	0	0	0	0	111.4	K715 Q716	T713-K715 PolarHBondContact O-N 2.76Å; T713-K715 VanDerWaalsContact O-N 3.16Å; T713-Q716 VanDerWaalsContact N-OE1 3.17Å; T713-Q716 WeakPolarHBondContact O-CB 3.37Å; T713-Q716 PolarHBondContact O-N 3.5Å
714	L	92.1	Very high	87.5	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-54.7	-32.6	174.8	-75.4	172.5	0	0	0	113.5	V636 V638 V653 V674 I675 M678 L702 P705 Q716 C717 I719	V636-L714 HydrophobicContact CG1-CD1 4.37Å; V638-L714 HydrophobicContact CG1-CD1 3.74Å; V653-L714 HydrophobicContact CG1-CD1 4.03Å; V653-L714 HydrophobicContact CG2-CD1 3.93Å; V674-L714 HydrophobicContact CG1-CD2 4.47Å; I675-L714 HydrophobicContact CD1-CD1 4.03Å; I675-L714 HydrophobicContact CD1-CD2 4.13Å; I675-L714 HydrophobicContact CG1-CD1 4.05Å; I675-L714 HydrophobicContact CG1-CD2 3.91Å; I675-L714 HydrophobicContact CG1-CG 4.14Å; M678-L714 HydrophobicContact SD-CB 4.29Å; M678-L714 HydrophobicContact SD-CD1 4.43Å; M678-L714 HydrophobicContact SD-CG 3.9Å; M678-L714 PolarHBondContact SD-N 3.17Å; M678-L714 VanDerWaalsContact SD-N 3.37Å; L702-L714 HydrophobicContact CD1-CD1 4.01Å; L702-L714 HydrophobicContact CD1-CD2 4.45Å; P705-L714 HydrophobicContact CB-CD2 4.47Å; L714-Q716 PolarHBondContact O-N 3.27Å; L714-Q716 VanDerWaalsContact O-N 3.11Å; L714-C717 WeakPolarHBondContact O-CB 3.25Å; L714-C717 PolarHBondContact O-N 2.83Å; L714-I719 HydrophobicContact CB-CD1 4.19Å; L714-I719 WeakPolarHBondContact O-CD1 3.3Å
715	K	87.8	Confident	87.5	Confident	79 Å²	79	64.8 Å²	64.8	34%	0.343	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-63.1	-13.4	176.3	-85.4	-169	159.5	-174.9	0	114.5	C632 K633 D634 V636 T713 W722	C632-K715 PolarHBondContact O-NZ 2.03Å; K633-K715 VanDerWaalsContact C-NZ 3.33Å; K633-K715 PolarHBondContact O-NZ 3.46Å; D634-K715 WeakPolarHBondContact O-CE 3.04Å; D634-K715 PolarHBondContact O-NZ 3.01Å; V636-K715 HydrophobicContact CB-CG 4.48Å; V636-K715 HydrophobicContact CG2-CD 4.08Å; V636-K715 HydrophobicContact CG2-CG 3.75Å; T713-K715 PolarHBondContact O-N 2.76Å; T713-K715 VanDerWaalsContact O-N 3.16Å; K715-W722 HydrophobicContact CG-CZ2 4.47Å
716	Q	89.5	Confident	87.4	Confident	113 Å²	113	72.6 Å²	72.6	53%	0.528	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-93.6	-16.8	175.4	-65.6	172.4	-48.1	0	0	112.9	E711 T713 L714	E711-Q716 HydrophobicContact CB-CB 3.98Å; E711-Q716 HydrophobicContact CG-CB 3.87Å; T713-Q716 VanDerWaalsContact N-OE1 3.17Å; T713-Q716 WeakPolarHBondContact O-CB 3.37Å; T713-Q716 PolarHBondContact O-N 3.5Å; L714-Q716 PolarHBondContact O-N 3.27Å; L714-Q716 VanDerWaalsContact O-N 3.11Å
717	C	91.4	Very high	87.3	Confident	11 Å²	11	71.4 Å²	71.4	7%	0.074	34%	0.337	C	S	.	.	S	Bend	trans	-70.9	163.6	174.6	-54.3	0	0	0	0	110.9	C707 L714 I719	C707-C717 VanDerWaalsContact CA-SG 3.58Å; C707-C717 HydrophobicContact CB-CB 3.86Å; C707-C717 WeakPolarHBondContact CB-SG 3.44Å; C707-C717 WeakPolarHBondContact SG-CB 3.04Å; C707-C717 CovalentContact SG-SG 2.03Å; C707-C717 PolarHBondContact SG-SG 2.9Å; L714-C717 WeakPolarHBondContact O-CB 3.25Å; L714-C717 PolarHBondContact O-N 2.83Å; C717-I719 HydrophobicContact CB-CG1 4.27Å; C717-I719 PolarHBondContact O-N 3.39Å
718	R	87	Confident	87.1	Confident	171 Å²	171	74.3 Å²	74.3	65%	0.645	36%	0.355	S	S	*	.			trans	-80.2	45.5	-176	-65.5	178.5	172.7	163.6	2.7	113.7	P705 G706 R720 R770	P705-R718 CarbonylContact O-C 3.5Å; G706-R718 PolarHBondContact O-N 3.09Å; R718-R720 PolarHBondContact O-N 3.31Å; R718-R770 VanDerWaalsContact NH1-NH2 3.16Å
719	I	84.4	Confident	87	Confident	32 Å²	32	71.5 Å²	71.5	16%	0.164	33%	0.332	C	S	.	.			trans	-62.1	117.3	177.2	-59.9	172.1	0	0	0	108.6	L702 P705 L714 C717 W722	L702-I719 HydrophobicContact CD1-CD1 4.26Å; L702-I719 HydrophobicContact CD2-CB 4.5Å; L702-I719 HydrophobicContact CD2-CD1 3.77Å; L702-I719 HydrophobicContact CD2-CG1 4.11Å; L702-I719 HydrophobicContact CD2-CG2 3.58Å; P705-I719 HydrophobicContact CB-CG1 4.29Å; P705-I719 WeakPolarHBondContact O-CG1 3.39Å; P705-I719 PolarHBondContact O-N 2.86Å; L714-I719 HydrophobicContact CB-CD1 4.19Å; L714-I719 WeakPolarHBondContact O-CD1 3.3Å; C717-I719 HydrophobicContact CB-CG1 4.27Å; C717-I719 PolarHBondContact O-N 3.39Å; I719-W722 HydrophobicContact CD1-CH2 4.01Å; I719-W722 HydrophobicContact CD1-CZ2 3.57Å
720	R	74	Confident	86.9	Confident	202 Å²	202	74 Å²	74	76%	0.762	35%	0.352	S	S	*	.			trans	-72.7	-50	-175.6	-68.1	-173.7	177.5	-161	0	113.1	R718	R718-R720 PolarHBondContact O-N 3.31Å
721	R	82.4	Confident	86.8	Confident	109 Å²	109	70.6 Å²	70.6	41%	0.411	33%	0.332	S	S	.	.			trans	-154.5	146.2	175.3	-77.6	-167	168.9	-152.8	-9	108.6	D616 V724	D616-R721 IonicContact OD2-CZ 2.68Å; D616-R721 IonicContact OD2-NH1 3.04Å; D616-R721 PolarHBondContact OD2-NH1 3.15Å; D616-R721 IonicContact OD2-NH2 2.85Å; D616-R721 PolarHBondContact OD2-NH2 3.23Å; R721-V724 HydrophobicContact CB-CB 4.3Å; R721-V724 HydrophobicContact CB-CG2 3.62Å; R721-V724 HydrophobicContact CG-CG2 4.49Å
722	W	89.3	Confident	86.6	Confident	27 Å²	27	69.7 Å²	69.7	10%	0.102	33%	0.328	C	S	.	.	S	Bend	trans	-78.5	150.2	173.1	-66.6	79.2	0	0	0	109.8	K612 V636 V653 Y655 W701 L702 K715 I719 V724	K612-W722 WeakPolarHBondContact CA-O 3.21Å; V636-W722 HydrophobicContact CB-CH2 4.46Å; V636-W722 HydrophobicContact CG1-CH2 4.05Å; V636-W722 HydrophobicContact CG2-CH2 3.62Å; V636-W722 HydrophobicContact CG2-CZ2 3.94Å; V636-W722 HydrophobicContact CG2-CZ3 4.39Å; V653-W722 HydrophobicContact CG1-CH2 4.18Å; V653-W722 HydrophobicContact CG1-CZ3 3.81Å; Y655-W722 HydrophobicContact CD1-CB 3.8Å; Y655-W722 AromaticContact CD1-CD2 3.9Å; Y655-W722 HydrophobicContact CD1-CD2 3.9Å; Y655-W722 AromaticContact CD1-CE3 3.91Å; Y655-W722 HydrophobicContact CD1-CE3 3.91Å; Y655-W722 AromaticContact CD1-CG 3.84Å; Y655-W722 HydrophobicContact CD1-CG 3.84Å; Y655-W722 AromaticContact CD2-CD2 3.54Å; Y655-W722 HydrophobicContact CD2-CD2 3.54Å; Y655-W722 AromaticContact CD2-CE2 3.72Å; Y655-W722 AromaticContact CD2-CE3 3.63Å; Y655-W722 HydrophobicContact CD2-CE3 3.63Å; Y655-W722 HydrophobicContact CD2-CG 4.1Å; Y655-W722 HydrophobicContact CD2-CH2 4.15Å; Y655-W722 HydrophobicContact CD2-CZ2 4.04Å; Y655-W722 AromaticContact CD2-CZ3 3.94Å; Y655-W722 HydrophobicContact CD2-CZ3 3.94Å; Y655-W722 HydrophobicContact CE1-CB 3.54Å; Y655-W722 AromaticContact CE1-CD1 3.98Å; Y655-W722 HydrophobicContact CE1-CD2 4.01Å; Y655-W722 HydrophobicContact CE1-CE3 4.49Å; Y655-W722 AromaticContact CE1-CG 3.54Å; Y655-W722 HydrophobicContact CE1-CG 3.54Å; Y655-W722 AromaticContact CE2-CD1 3.79Å; Y655-W722 AromaticContact CE2-CD2 3.68Å; Y655-W722 HydrophobicContact CE2-CD2 3.68Å; Y655-W722 AromaticContact CE2-CE2 3.65Å; Y655-W722 HydrophobicContact CE2-CE3 4.26Å; Y655-W722 AromaticContact CE2-CG 3.84Å; Y655-W722 HydrophobicContact CE2-CG 3.84Å; Y655-W722 HydrophobicContact CE2-CZ2 4.25Å; Y655-W722 AromaticContact CE2-NE1 3.7Å; Y655-W722 HydrophobicContact CG-CB 4.48Å; Y655-W722 AromaticContact CG-CD2 3.65Å; Y655-W722 HydrophobicContact CG-CD2 3.65Å; Y655-W722 AromaticContact CG-CE3 3.42Å; Y655-W722 HydrophobicContact CG-CE3 3.42Å; Y655-W722 VanDerWaalsContact CG-CE3 3.42Å; Y655-W722 HydrophobicContact CG-CG 4.09Å; Y655-W722 AromaticContact CG-CZ3 3.96Å; Y655-W722 HydrophobicContact CG-CZ3 3.96Å; Y655-W722 AromaticContact CZ-CD1 3.51Å; Y655-W722 AromaticContact CZ-CD2 3.9Å; Y655-W722 AromaticContact CZ-CG 3.53Å; Y655-W722 AromaticContact CZ-NE1 3.91Å; W701-W722 HydrophobicContact CB-CE3 3.99Å; W701-W722 HydrophobicContact CB-CZ3 4.27Å; W701-W722 HydrophobicContact CD2-CE3 4.42Å; W701-W722 HydrophobicContact CE3-CB 4.1Å; W701-W722 HydrophobicContact CE3-CE3 4.44Å; W701-W722 HydrophobicContact CG-CE3 4.25Å; W701-W722 HydrophobicContact CZ3-CB 4.44Å; L702-W722 HydrophobicContact CD1-CH2 4.28Å; L702-W722 HydrophobicContact CD1-CZ3 4.16Å; L702-W722 HydrophobicContact CD2-CD2 4.11Å; L702-W722 HydrophobicContact CD2-CE3 3.83Å; L702-W722 HydrophobicContact CD2-CH2 4.12Å; L702-W722 HydrophobicContact CD2-CZ2 4.41Å; L702-W722 HydrophobicContact CD2-CZ3 3.84Å; L702-W722 HydrophobicContact CG-CE3 4.34Å; L702-W722 HydrophobicContact CG-CZ3 4.06Å; K715-W722 HydrophobicContact CG-CZ2 4.47Å; I719-W722 HydrophobicContact CD1-CH2 4.01Å; I719-W722 HydrophobicContact CD1-CZ2 3.57Å; W722-V724 PolarHBondContact O-N 3.14Å
723	G	86.6	Confident	86.7	Confident	8 Å²	8	62.1 Å²	62.1	8%	0.082	30%	0.295	C	S	.	.	S	Bend	trans	74.1	-18.7	176.8	0	0	0	0	0	115.7	W701 N725	W701-G723 PolarHBondContact O-N 3.48Å; G723-N725 PolarHBondContact O-N 2.56Å; G723-N725 VanDerWaalsContact O-N 3.13Å; G723-N725 PolarHBondContact O-ND2 3.17Å
724	V	84.9	Confident	86.7	Confident	71 Å²	71	59.5 Å²	59.5	43%	0.43	28%	0.28	S	S	.	.			trans	-73	104.3	176.9	-178.3	0	0	0	0	110.3	K612 R721 W722	K612-V724 HydrophobicContact CB-CG2 3.72Å; K612-V724 HydrophobicContact CD-CG2 4.41Å; R721-V724 HydrophobicContact CB-CB 4.3Å; R721-V724 HydrophobicContact CB-CG2 3.62Å; R721-V724 HydrophobicContact CG-CG2 4.49Å; W722-V724 PolarHBondContact O-N 3.14Å
725	N	85	Confident	86.7	Confident	48 Å²	48	59.5 Å²	59.5	26%	0.257	28%	0.28	S	S	.	.			trans	-149.2	165.8	176.5	75.9	97.5	0	0	0	111	I700 Q703 G723 C727	I700-N725 HydrophobicContact CG2-CB 4.23Å; I700-N725 PolarHBondContact O-ND2 3.44Å; Q703-N725 HydrophobicContact CB-CB 3.95Å; Q703-N725 VanDerWaalsContact OE1-CA 3.26Å; G723-N725 PolarHBondContact O-N 2.56Å; G723-N725 VanDerWaalsContact O-N 3.13Å; G723-N725 PolarHBondContact O-ND2 3.17Å; N725-C727 PolarHBondContact OD1-N 3.09Å; N725-C727 PolarHBondContact OD1-O 2.9Å
726	K	81.8	Confident	86.9	Confident	164 Å²	164	56.2 Å²	56.2	71%	0.713	27%	0.266	S	S	*	.			trans	-112.5	11.6	172.5	-64.6	-176.5	-179.3	176.7	0	113.1
727	C	81.8	Confident	86.9	Confident	13 Å²	13	51 Å²	51	9%	0.088	24%	0.242	C	C	.	.			trans	-96.5	158.6	-163.7	-52.2	0	0	0	0	112.4	C663 I700 N725 E731	C663-C727 HydrophobicContact CB-CB 3.66Å; C663-C727 WeakPolarHBondContact CB-SG 3.29Å; C663-C727 WeakPolarHBondContact SG-CB 3.31Å; C663-C727 CovalentContact SG-SG 2.02Å; C663-C727 PolarHBondContact SG-SG 3.11Å; I700-C727 HydrophobicContact CD1-CB 4Å; I700-C727 WeakPolarHBondContact CD1-O 3.4Å; N725-C727 PolarHBondContact OD1-N 3.09Å; N725-C727 PolarHBondContact OD1-O 2.9Å; C727-E731 WeakPolarHBondContact CA-OE2 3.4Å; C727-E731 HydrophobicContact CB-CB 4.22Å
728	T	87.4	Confident	86	Confident	75 Å²	75	52.3 Å²	52.3	46%	0.46	25%	0.254	S	S	.	.			trans	-100.5	165.1	165.8	65.9	0	0	0	0	109.9	A730 E731	T728-A730 PolarHBondContact O-N 3.16Å; T728-A730 VanDerWaalsContact O-N 3.13Å; T728-A730 PolarHBondContact OG1-N 2.82Å; T728-E731 PolarHBondContact N-OE2 3.31Å; T728-E731 WeakPolarHBondContact O-CB 3.38Å; T728-E731 PolarHBondContact O-N 2.96Å; T728-E731 PolarHBondContact OG1-OE2 2.87Å; T728-E731 VanDerWaalsContact OG1-OE2 3.06Å
729	H	88.1	Confident	84.5	Confident	20 Å²	20	51.2 Å²	51.2	9%	0.093	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-71.2	-2.7	174.1	-63.6	-60	0	0	0	113.9	K599 S661 S695 S696 G698 I700 D732	K599-H729 VanDerWaalsContact CE-NE2 3.26Å; K599-H729 WeakPolarHBondContact CE-NE2 3.41Å; K599-H729 PolarHBondContact NZ-CD2 2.54Å; K599-H729 VanDerWaalsContact NZ-CD2 3.27Å; K599-H729 PolarHBondContact NZ-NE2 2.68Å; K599-H729 VanDerWaalsContact NZ-NE2 3.13Å; S661-H729 PolarHBondContact OG-ND1 2.98Å; S695-H729 WeakPolarHBondContact CB-O 3.22Å; S695-H729 PolarHBondContact OG-O 3.46Å; S696-H729 PolarHBondContact O-CD2 2.85Å; S696-H729 VanDerWaalsContact O-CD2 3.24Å; G698-H729 PolarHBondContact O-CE1 2.04Å; G698-H729 PolarHBondContact O-NE2 3.18Å; I700-H729 WeakPolarHBondContact CG1-CE1 3.39Å; H729-D732 WeakPolarHBondContact CA-OD1 3.37Å; H729-D732 IonicContact CG-OD1 2.73Å; H729-D732 IonicContact CG-OD2 3.36Å; H729-D732 IonicContact ND1-OD1 3.11Å; H729-D732 PolarHBondContact ND1-OD1 2.76Å; H729-D732 VanDerWaalsContact ND1-OD1 3.1Å; H729-D732 IonicContact ND1-OD2 3.04Å; H729-D732 PolarHBondContact ND1-OD2 3.36Å
730	A	85	Confident	82.8	Confident	60 Å²	60	54.2 Å²	54.2	50%	0.496	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-72.7	-16	165.2	0	0	0	0	0	111.7	N690 G691 T728	N690-A730 CarbonylContact C-O 3.57Å; N690-A730 WeakPolarHBondContact CA-O 3.33Å; G691-A730 PolarHBondContact N-O 2.96Å; T728-A730 PolarHBondContact O-N 3.16Å; T728-A730 VanDerWaalsContact O-N 3.13Å; T728-A730 PolarHBondContact OG1-N 2.82Å
731	E	88	Confident	81.3	Confident	45 Å²	45	52.4 Å²	52.4	21%	0.21	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-105.5	16.4	177.2	-61.2	160.1	93	0	0	111.9	C663 S664 C727 T728 V733	C663-E731 CarbonylContact C-O 3.5Å; C663-E731 WeakPolarHBondContact CA-O 3.18Å; S664-E731 PolarHBondContact N-O 2.95Å; S664-E731 PolarHBondContact OG-O 3.41Å; S664-E731 VanDerWaalsContact OG-O 3.1Å; C727-E731 WeakPolarHBondContact CA-OE2 3.4Å; C727-E731 HydrophobicContact CB-CB 4.22Å; T728-E731 PolarHBondContact N-OE2 3.31Å; T728-E731 WeakPolarHBondContact O-CB 3.38Å; T728-E731 PolarHBondContact O-N 2.96Å; T728-E731 PolarHBondContact OG1-OE2 2.87Å; T728-E731 VanDerWaalsContact OG1-OE2 3.06Å; E731-V733 PolarHBondContact O-N 3.46Å
732	D	89.4	Confident	79.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-63.6	128.7	173.7	-76.5	-12.6	0	0	0	109.9	R650 S661 G691 S696 H729	R650-D732 HydrophobicContact CG-CB 4.29Å; S661-D732 VanDerWaalsContact CB-CG 3.41Å; S661-D732 WeakPolarHBondContact CB-OD1 3.14Å; S661-D732 PolarHBondContact OG-OD1 2.96Å; S661-D732 PolarHBondContact OG-OD2 2.82Å; G691-D732 WeakPolarHBondContact CA-O 3.44Å; G691-D732 PolarHBondContact N-O 3.48Å; S696-D732 VanDerWaalsContact CB-OD2 3.29Å; S696-D732 WeakPolarHBondContact CB-OD2 3.49Å; S696-D732 PolarHBondContact N-OD2 3.07Å; H729-D732 WeakPolarHBondContact CA-OD1 3.37Å; H729-D732 IonicContact CG-OD1 2.73Å; H729-D732 IonicContact CG-OD2 3.36Å; H729-D732 IonicContact ND1-OD1 3.11Å; H729-D732 PolarHBondContact ND1-OD1 2.76Å; H729-D732 VanDerWaalsContact ND1-OD1 3.1Å; H729-D732 IonicContact ND1-OD2 3.04Å; H729-D732 PolarHBondContact ND1-OD2 3.36Å
733	V	92	Very high	76.5	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	33%	0.332	C	S	.	.			trans	-85.6	147.9	-179.3	81.2	0	0	0	0	112.1	I651 V662 F667 I687 E731	I651-V733 HydrophobicContact CB-CG1 4.27Å; I651-V733 HydrophobicContact CD1-CG1 3.74Å; I651-V733 HydrophobicContact CG1-CG1 4.1Å; I651-V733 PolarHBondContact N-O 2.82Å; V662-V733 HydrophobicContact CB-CG1 3.84Å; V662-V733 HydrophobicContact CG1-CG1 3.83Å; V662-V733 WeakPolarHBondContact O-CG1 3.49Å; V662-V733 PolarHBondContact O-N 2.9Å; F667-V733 HydrophobicContact CB-CG2 4.44Å; F667-V733 HydrophobicContact CD1-CB 4.48Å; F667-V733 HydrophobicContact CD1-CG1 4.04Å; F667-V733 HydrophobicContact CD1-CG2 3.77Å; F667-V733 HydrophobicContact CD2-CG1 4.23Å; F667-V733 HydrophobicContact CE1-CG1 4.25Å; F667-V733 HydrophobicContact CE1-CG2 4.34Å; F667-V733 HydrophobicContact CE2-CG1 4.45Å; F667-V733 HydrophobicContact CG-CG1 4.02Å; F667-V733 HydrophobicContact CG-CG2 4.25Å; F667-V733 HydrophobicContact CZ-CG1 4.47Å; I687-V733 HydrophobicContact CG2-CG2 3.62Å; E731-V733 PolarHBondContact O-N 3.46Å
734	A	92.1	Very high	73.9	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.008	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	160	173.4	0	0	0	0	0	110.5	G649 Y688 F693	G649-A734 CarbonylContact O-C 3.53Å; G649-A734 WeakPolarHBondContact O-CA 3.15Å; G649-A734 WeakPolarHBondContact O-CB 3.25Å; Y688-A734 PolarHBondContact N-O 2.9Å; Y688-A734 PolarHBondContact O-N 2.92Å; F693-A734 HydrophobicContact CD2-CB 3.35Å; F693-A734 HydrophobicContact CE2-CB 3.72Å
735	I	92.8	Very high	71.5	Confident	0 Å²	0	69 Å²	69	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	167.5	176	56.5	178.1	0	0	0	111.5	L640 K648 G649 I651 F667 A672 I675 M686 I687	L640-I735 HydrophobicContact CD1-CG1 4.22Å; L640-I735 HydrophobicContact CD2-CD1 4.04Å; L640-I735 HydrophobicContact CD2-CG1 3.66Å; K648-I735 WeakPolarHBondContact CA-O 3.34Å; G649-I735 PolarHBondContact N-O 2.92Å; G649-I735 PolarHBondContact O-N 3.06Å; I651-I735 HydrophobicContact CD1-CD1 3.87Å; I651-I735 HydrophobicContact CD1-CG1 4Å; I651-I735 HydrophobicContact CD1-CG2 3.87Å; I651-I735 HydrophobicContact CG1-CD1 4.16Å; I651-I735 HydrophobicContact CG1-CG1 3.92Å; I651-I735 HydrophobicContact CG1-CG2 4.46Å; F667-I735 HydrophobicContact CE1-CG2 4.01Å; A672-I735 HydrophobicContact CB-CG2 4.05Å; I675-I735 HydrophobicContact CB-CD1 4.34Å; I675-I735 HydrophobicContact CG2-CD1 3.85Å; M686-I735 CarbonylContact O-C 3.49Å; M686-I735 WeakPolarHBondContact O-CA 3.5Å; M686-I735 WeakPolarHBondContact O-CB 3.48Å; I687-I735 HydrophobicContact CG1-CG2 4.11Å
736	T	91.4	Very high	69.3	Low	10 Å²	10	71.9 Å²	71.9	6%	0.061	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	145.9	148.9	-179.5	0	0	0	0	109.8	D647 P685 M686 Y688	D647-T736 CarbonylContact O-C 3.51Å; D647-T736 WeakPolarHBondContact O-CA 3.36Å; D647-T736 PolarHBondContact O-OG1 2.88Å; P685-T736 CarbonylContact C-O 3.54Å; P685-T736 VanDerWaalsContact CA-O 3.22Å; P685-T736 WeakPolarHBondContact CA-O 3.03Å; M686-T736 HydrophobicContact CB-CG2 3.77Å; M686-T736 HydrophobicContact CG-CG2 4.02Å; M686-T736 PolarHBondContact N-O 2.03Å; M686-T736 PolarHBondContact O-N 3.06Å; M686-T736 HydrophobicContact SD-CG2 4.11Å; Y688-T736 HydrophobicContact CE2-CG2 3.79Å; Y688-T736 WeakPolarHBondContact OH-CG2 3.33Å
737	C	91.3	Very high	67	Low	3 Å²	3	72 Å²	72	2%	0.02	41%	0.407	C	S	.	.			trans	-106.1	13.5	-177	-60.5	0	0	0	0	113.5	D647 C676 H681 G683	D647-C737 HydrophobicContact CB-CB 4.43Å; D647-C737 PolarHBondContact O-N 2.83Å; C676-C737 WeakPolarHBondContact CA-SG 3.36Å; C676-C737 HydrophobicContact CB-CB 3.69Å; C676-C737 WeakPolarHBondContact CB-SG 3.38Å; C676-C737 VanDerWaalsContact SG-CA 3.53Å; C676-C737 WeakPolarHBondContact SG-CB 2.97Å; C676-C737 CovalentContact SG-SG 2.03Å; C676-C737 PolarHBondContact SG-SG 2.88Å; H681-C737 HydrophobicContact CB-CB 3.47Å; H681-C737 VanDerWaalsContact CB-CB 3.47Å; G683-C737 WeakPolarHBondContact CA-O 3.43Å
738	A	72	Confident	64.7	Low	38 Å²	38	77.6 Å²	77.6	31%	0.314	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-69.1	157.9	-178.7	0	0	0	0	0	113	D647 T684	D647-A738 WeakPolarHBondContact OD2-CB 3.35Å; T684-A738 PolarHBondContact N-O 3.27Å
739	E	55.6	Low	62.3	Low	149 Å²	149	79.3 Å²	79.3	70%	0.696	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-76.5	144.9	164	-69.5	-178.2	176.7	0	0	110.5	L741	E739-L741 PolarHBondContact O-N 3.47Å
740	P	48.6	Very low	59.7	Low	94 Å²	94	84.5 Å²	84.5	61%	0.61	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-63.9	121.9	170.2	-14.7	28.8	0	0	0	109.4	H742	P740-H742 PolarHBondContact O-N 3.02Å; P740-H742 VanDerWaalsContact O-N 3.16Å
741	L	42.7	Very low	57	Low	165 Å²	165	87 Å²	87	86%	0.864	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-57.7	121.7	169.3	-72.2	169.6	0	0	0	108.7	E739 V743	E739-L741 PolarHBondContact O-N 3.47Å; L741-V743 PolarHBondContact O-N 2.94Å
742	H	37	Very low	54.4	Low	182 Å²	182	90.3 Å²	90.3	84%	0.843	53%	0.528	S	S	*	.			trans	-59.7	100.5	174.3	-97.5	-88.7	0	0	0	109.9	P740 T744	P740-H742 PolarHBondContact O-N 3.02Å; P740-H742 VanDerWaalsContact O-N 3.16Å; H742-T744 PolarHBondContact O-N 2.78Å
743	V	33	Very low	51.7	Low	119 Å²	119	95.9 Å²	95.9	72%	0.721	57%	0.567	S	S	*	*			trans	-81.6	96.9	163.9	-176.1	0	0	0	0	106.9	L741 I745	L741-V743 PolarHBondContact O-N 2.94Å; V743-I745 HydrophobicContact CG1-CG1 3.97Å; V743-I745 PolarHBondContact O-N 2.85Å
744	T	31.5	Very low	49.2	Very low	126 Å²	126	100.5 Å²	100.5	77%	0.773	60%	0.599	S	S	*	*			trans	-70.5	96.1	170.9	49.7	0	0	0	0	109.3	H742	H742-T744 PolarHBondContact O-N 2.78Å
745	I	35.7	Very low	47.5	Very low	136 Å²	136	104.9 Å²	104.9	70%	0.697	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-85.6	130	165.2	-54.7	-179.3	0	0	0	107.1	V743	V743-I745 HydrophobicContact CG1-CG1 3.97Å; V743-I745 PolarHBondContact O-N 2.85Å
746	P	37.2	Very low	46.8	Very low	109 Å²	109	107.9 Å²	107.9	71%	0.708	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-61	144.2	179.4	-22.9	33.6	0	0	0	112.9	V748	P746-V748 PolarHBondContact O-N 2.81Å
747	D	34.2	Very low	46.8	Very low	165 Å²	165	108.2 Å²	108.2	88%	0.882	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-59.1	116.8	-177.6	-61.5	-73.1	0	0	0	112.8
748	V	34.2	Very low	46.7	Very low	132 Å²	132	108.1 Å²	108.1	80%	0.8	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-88.5	124.3	166.2	179.3	0	0	0	0	108.2	P746	P746-V748 PolarHBondContact O-N 2.81Å
749	P	36.8	Very low	47.6	Very low	111 Å²	111	112.1 Å²	112.1	72%	0.721	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-62.2	144	-178.4	-23	33.3	0	0	0	112.8	S751	P749-S751 PolarHBondContact O-N 3.2Å
750	P	32.4	Very low	48.9	Very low	128 Å²	128	107.2 Å²	107.2	83%	0.831	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-72.7	119.9	-178.2	29	-34	0	0	0	111.7
751	S	29.8	Very low	50.2	Low	112 Å²	112	108.7 Å²	108.7	78%	0.783	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-73.2	148	168	56.6	0	0	0	0	111.6	P749	P749-S751 PolarHBondContact O-N 3.2Å
752	P	33.2	Very low	51.4	Low	116 Å²	116	102.5 Å²	102.5	75%	0.753	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-83.7	156.7	-162.1	-10.9	29.3	0	0	0	115.5
753	S	31.3	Very low	52.1	Low	117 Å²	117	99.2 Å²	99.2	82%	0.818	60%	0.596	S	S	*	*			trans	53.3	77.5	157.5	58.7	0	0	0	0	118.3
754	S	41.2	Very low	52.8	Low	97 Å²	97	96 Å²	96	68%	0.678	57%	0.572	S	S	*	*			trans	-96.2	137.5	145.3	178.8	0	0	0	0	108.8
755	P	54.9	Low	53.4	Low	94 Å²	94	101 Å²	101	61%	0.61	58%	0.577	S	S	*	*			trans	-59.3	152.6	173.6	26.1	-33.9	0	0	0	110.9	C757	P755-C757 VanDerWaalsContact C-N 3.35Å; P755-C757 PolarHBondContact O-N 3.41Å
756	D	78.7	Confident	53.4	Low	63 Å²	63	97.7 Å²	97.7	34%	0.337	57%	0.57	S	S	.	*			trans	-73.9	83.8	-168.4	-166	26.6	0	0	0	113.4	R759 K975	D756-R759 WeakPolarHBondContact OD1-CD 3.09Å; D756-R759 IonicContact OD1-CZ 3.88Å; D756-R759 IonicContact OD1-NE 3.47Å; D756-R759 PolarHBondContact OD1-NE 2.79Å; D756-R759 IonicContact OD1-NH1 2.79Å; D756-R759 PolarHBondContact OD1-NH1 3.19Å; D756-R759 VanDerWaalsContact OD1-NH1 3.08Å; D756-R759 IonicContact OD1-NH2 3.68Å; D756-R759 VanDerWaalsContact OD2-CD 3.3Å; D756-R759 WeakPolarHBondContact OD2-CD 3.43Å; D756-R759 IonicContact OD2-CZ 2.69Å; D756-R759 IonicContact OD2-NE 2.78Å; D756-R759 IonicContact OD2-NH1 3.93Å; D756-R759 PolarHBondContact OD2-NH1 2.72Å; D756-K975 IonicContact OD1-NZ 2.73Å; D756-K975 PolarHBondContact OD1-NZ 2.83Å
757	C	91.5	Very high	53.3	Low	17 Å²	17	102.3 Å²	102.3	12%	0.115	57%	0.574	C	S	.	*			trans	-89.4	161.9	-178.5	66	0	0	0	0	113.6	P755 R759 P888 C890 K975	P755-C757 VanDerWaalsContact C-N 3.35Å; P755-C757 PolarHBondContact O-N 3.41Å; C757-R759 PolarHBondContact O-N 3.08Å; C757-P888 CarbonylContact C-O 3.57Å; C757-P888 WeakPolarHBondContact CA-O 3.4Å; C757-P888 HydrophobicContact CB-CG 4.27Å; C757-C890 HydrophobicContact CB-CB 4.01Å; C757-C890 WeakPolarHBondContact CB-SG 2.99Å; C757-C890 PolarHBondContact O-SG 3.35Å; C757-C890 WeakPolarHBondContact SG-CA 3.36Å; C757-C890 WeakPolarHBondContact SG-CB 3.3Å; C757-C890 CovalentContact SG-SG 2.05Å; C757-C890 PolarHBondContact SG-SG 3.32Å; C757-K975 WeakPolarHBondContact O-CD 2.98Å; C757-K975 WeakPolarHBondContact O-CE 3.28Å; C757-K975 PolarHBondContact O-NZ 3.06Å; C757-K975 VanDerWaalsContact O-NZ 3.16Å
758	G	90.1	Very high	53.1	Low	0 Å²	0	97.6 Å²	97.6	0%	0	55%	0.548	C	S	.	.	S	Bend	trans	72.7	9.2	166.6	0	0	0	0	0	114.9	P888 K975 Y976	G758-P888 PolarHBondContact N-O 2.94Å; G758-K975 WeakPolarHBondContact O-CA 3.03Å; G758-Y976 VanDerWaalsContact CA-O 3.28Å; G758-Y976 WeakPolarHBondContact CA-O 3.3Å; G758-Y976 PolarHBondContact O-N 2.85Å
759	R	89.4	Confident	53.1	Low	123 Å²	123	97 Å²	97	46%	0.464	55%	0.547	S	S	.	.			trans	-95.7	144.7	178.5	-67.8	-168.5	176.2	155.6	-3.4	111.8	D756 C757	D756-R759 WeakPolarHBondContact OD1-CD 3.09Å; D756-R759 IonicContact OD1-CZ 3.88Å; D756-R759 IonicContact OD1-NE 3.47Å; D756-R759 PolarHBondContact OD1-NE 2.79Å; D756-R759 IonicContact OD1-NH1 2.79Å; D756-R759 PolarHBondContact OD1-NH1 3.19Å; D756-R759 VanDerWaalsContact OD1-NH1 3.08Å; D756-R759 IonicContact OD1-NH2 3.68Å; D756-R759 VanDerWaalsContact OD2-CD 3.3Å; D756-R759 WeakPolarHBondContact OD2-CD 3.43Å; D756-R759 IonicContact OD2-CZ 2.69Å; D756-R759 IonicContact OD2-NE 2.78Å; D756-R759 IonicContact OD2-NH1 3.93Å; D756-R759 PolarHBondContact OD2-NH1 2.72Å; C757-R759 PolarHBondContact O-N 3.08Å
760	T	84	Confident	52.9	Low	45 Å²	45	98 Å²	98	28%	0.276	54%	0.537	S	S	.	.			trans	-124.6	135.4	172.2	179	0	0	0	0	109.5	V762 G786 A787 Y976	T760-V762 VanDerWaalsContact C-N 3.32Å; T760-V762 PolarHBondContact OG1-N 2.75Å; T760-G786 PolarHBondContact OG1-O 3.39Å; T760-A787 WeakPolarHBondContact CB-O 3.35Å; T760-A787 PolarHBondContact OG1-O 3.02Å; T760-Y976 HydrophobicContact CG2-CE2 4.13Å
761	F	76	Confident	53	Low	125 Å²	125	100 Å²	100	55%	0.548	54%	0.535	S	S	.	.	S	Bend	trans	-89	-2.4	-179.4	-63.7	-85.2	0	0	0	112.5	K884 Q887	F761-K884 HydrophobicContact CB-CB 4.15Å; F761-K884 HydrophobicContact CD2-CB 4.12Å; F761-K884 HydrophobicContact CG-CB 4.23Å; F761-Q887 HydrophobicContact CD2-CG 4.46Å; F761-Q887 HydrophobicContact CE2-CG 3.98Å
762	V	66.6	Low	52.9	Low	35 Å²	35	98.2 Å²	98.2	21%	0.212	53%	0.534	C	S	.	.	S	Bend	trans	-116.6	104.1	-176.8	-179.6	0	0	0	0	109.3	T760 F764 R784 A787	T760-V762 VanDerWaalsContact C-N 3.32Å; T760-V762 PolarHBondContact OG1-N 2.75Å; V762-F764 PolarHBondContact O-N 2.88Å; V762-R784 HydrophobicContact CG1-CB 4.07Å; V762-A787 HydrophobicContact CB-CB 4.34Å; V762-A787 HydrophobicContact CG1-CB 4.27Å
763	S	53.3	Low	52.7	Low	113 Å²	113	103.6 Å²	103.6	79%	0.79	54%	0.541	S	S	*	.			trans	-67.4	105.3	175.7	58.1	0	0	0	0	110.6
764	F	46.3	Very low	52.5	Low	51 Å²	51	105.9 Å²	105.9	22%	0.224	54%	0.543	C	S	.	.			trans	-119.6	107.4	174.6	-165.5	-94.5	0	0	0	110.5	V762 A766 F781 R784 A787	V762-F764 PolarHBondContact O-N 2.88Å; F764-A766 HydrophobicContact CE1-CB 4.41Å; F764-F781 HydrophobicContact CD1-CD2 4.42Å; F764-F781 AromaticContact CD1-CE2 3.81Å; F764-F781 HydrophobicContact CD1-CE2 3.81Å; F764-F781 HydrophobicContact CD1-CZ 4.32Å; F764-F781 AromaticContact CE1-CD2 3.48Å; F764-F781 HydrophobicContact CE1-CD2 3.48Å; F764-F781 VanDerWaalsContact CE1-CD2 3.48Å; F764-F781 AromaticContact CE1-CE2 3.27Å; F764-F781 HydrophobicContact CE1-CE2 3.27Å; F764-F781 HydrophobicContact CE1-CG 4.3Å; F764-F781 AromaticContact CE1-CZ 3.94Å; F764-F781 HydrophobicContact CE1-CZ 3.94Å; F764-F781 AromaticContact CZ-CD2 3.96Å; F764-F781 HydrophobicContact CZ-CD2 3.96Å; F764-F781 HydrophobicContact CZ-CE2 4.17Å; F764-R784 HydrophobicContact CD2-CB 4.13Å; F764-R784 HydrophobicContact CD2-CG 3.72Å; F764-R784 HydrophobicContact CE2-CG 3.82Å; F764-A787 HydrophobicContact CB-CB 4.13Å
765	R	43.9	Very low	52	Low	232 Å²	232	103.4 Å²	103.4	88%	0.875	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-97.4	132.2	156.8	-73.3	-178.5	175.3	168.1	-1.7	107.2	R767	R765-R767 PolarHBondContact O-N 3.13Å; R765-R767 VanDerWaalsContact O-N 3.1Å
766	A	36.8	Very low	51.5	Low	66 Å²	66	105.3 Å²	105.3	55%	0.545	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-55.1	116.8	178.5	0	0	0	0	0	110.3	F764 D768 F781	F764-A766 HydrophobicContact CE1-CB 4.41Å; A766-D768 PolarHBondContact O-N 3.4Å; A766-F781 HydrophobicContact CB-CD1 4.15Å; A766-F781 HydrophobicContact CB-CE1 3.99Å
767	R	33.7	Very low	49.9	Very low	207 Å²	207	102.5 Å²	102.5	78%	0.781	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-82.2	116	-179.9	-76.6	-174.1	174.5	-168.5	-3.5	110.1	R765	R765-R767 PolarHBondContact O-N 3.13Å; R765-R767 VanDerWaalsContact O-N 3.1Å
768	D	30.5	Very low	47.7	Very low	65 Å²	65	103.4 Å²	103.4	35%	0.348	51%	0.513	S	S	.	.			trans	36.6	104.2	150	-161	-10.7	0	0	0	118.3	A766 R770	A766-D768 PolarHBondContact O-N 3.4Å; D768-R770 VanDerWaalsContact CG-NE 3.35Å; D768-R770 PolarHBondContact O-N 3.21Å; D768-R770 VanDerWaalsContact OD1-CB 3.27Å; D768-R770 WeakPolarHBondContact OD1-CB 3.09Å; D768-R770 VanDerWaalsContact OD1-CG 3.25Å; D768-R770 WeakPolarHBondContact OD1-CG 3.12Å; D768-R770 IonicContact OD1-CZ 2.81Å; D768-R770 PolarHBondContact OD1-N 2.95Å; D768-R770 IonicContact OD1-NE 3.74Å; D768-R770 PolarHBondContact OD1-NE 2.81Å; D768-R770 IonicContact OD1-NH2 3.32Å; D768-R770 IonicContact OD2-CZ 2.66Å; D768-R770 VanDerWaalsContact OD2-CZ 3.28Å; D768-R770 IonicContact OD2-NE 3.1Å; D768-R770 PolarHBondContact OD2-NE 3.45Å; D768-R770 IonicContact OD2-NH2 3.67Å; D768-R770 PolarHBondContact OD2-NH2 3.09Å
769	P	34.2	Very low	45.7	Very low	121 Å²	121	105.8 Å²	105.8	79%	0.786	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	22.5	178.5	33.6	-37.5	0	0	0	114.5
770	R	33.7	Very low	44.2	Very low	132 Å²	132	100.4 Å²	100.4	50%	0.498	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	0.3	178.8	-70.4	179.9	-70	178.7	5.7	115	R718 D768	R718-R770 VanDerWaalsContact NH1-NH2 3.16Å; D768-R770 VanDerWaalsContact CG-NE 3.35Å; D768-R770 PolarHBondContact O-N 3.21Å; D768-R770 VanDerWaalsContact OD1-CB 3.27Å; D768-R770 WeakPolarHBondContact OD1-CB 3.09Å; D768-R770 VanDerWaalsContact OD1-CG 3.25Å; D768-R770 WeakPolarHBondContact OD1-CG 3.12Å; D768-R770 IonicContact OD1-CZ 2.81Å; D768-R770 PolarHBondContact OD1-N 2.95Å; D768-R770 IonicContact OD1-NE 3.74Å; D768-R770 PolarHBondContact OD1-NE 2.81Å; D768-R770 IonicContact OD1-NH2 3.32Å; D768-R770 IonicContact OD2-CZ 2.66Å; D768-R770 VanDerWaalsContact OD2-CZ 3.28Å; D768-R770 IonicContact OD2-NE 3.1Å; D768-R770 PolarHBondContact OD2-NE 3.45Å; D768-R770 IonicContact OD2-NH2 3.67Å; D768-R770 PolarHBondContact OD2-NH2 3.09Å
771	H	35	Very low	43.7	Very low	169 Å²	169	100.5 Å²	100.5	78%	0.782	52%	0.518	S	S	*	.	S	Bend	trans	-103.2	107.8	168.5	-73.9	84.1	0	0	0	110.4	Y773	H771-Y773 PolarHBondContact O-N 3.43Å
772	G	27.8	Very low	43.7	Very low	75 Å²	75	98 Å²	98	77%	0.773	51%	0.508	S	S	*	.			trans	-74.2	92.4	-179.5	0	0	0	0	0	112.7
773	Y	28.4	Very low	44.5	Very low	229 Å²	229	96.5 Å²	96.5	90%	0.898	50%	0.499	S	S	*	.			trans	-141.5	134.2	149.8	-91.8	-79.6	0	0	0	109	H771 A775	H771-Y773 PolarHBondContact O-N 3.43Å; Y773-A775 PolarHBondContact O-N 3.34Å; Y773-A775 VanDerWaalsContact O-N 3.15Å
774	L	27.5	Very low	45.9	Very low	164 Å²	164	96.6 Å²	96.6	86%	0.859	48%	0.482	S	S	*	.			trans	-62	112	-173.6	-65.4	161.2	0	0	0	111.3
775	A	30.4	Very low	47.8	Very low	46 Å²	46	96.3 Å²	96.3	38%	0.38	48%	0.481	S	S	.	.			trans	-91.6	160.4	175.1	0	0	0	0	0	112.2	Y773 G780	Y773-A775 PolarHBondContact O-N 3.34Å; Y773-A775 VanDerWaalsContact O-N 3.15Å; A775-G780 WeakPolarHBondContact CB-O 3.14Å
776	R	44.4	Very low	49.8	Very low	134 Å²	134	85.6 Å²	85.6	51%	0.506	44%	0.443	S	S	.	.	S	Bend	trans	-126.6	21.9	-134.6	-62	-180	178.6	159	-6	117.4	T912 P917 Q921	R776-T912 VanDerWaalsContact C-CG2 3.47Å; R776-T912 VanDerWaalsContact CA-CG2 3.42Å; R776-T912 HydrophobicContact CB-CG2 3.44Å; R776-T912 VanDerWaalsContact CB-CG2 3.44Å; R776-T912 HydrophobicContact CG-CG2 3.97Å; R776-T912 WeakPolarHBondContact O-CG2 3.5Å; R776-P917 HydrophobicContact CB-CB 3.93Å; R776-P917 WeakPolarHBondContact O-CG 3.38Å; R776-Q921 VanDerWaalsContact C-CG 3.43Å; R776-Q921 VanDerWaalsContact CA-OE1 3.3Å; R776-Q921 HydrophobicContact CB-CG 4.11Å; R776-Q921 WeakPolarHBondContact O-CG 3.49Å
777	V	43.7	Very low	52.2	Low	3 Å²	3	82.6 Å²	82.6	2%	0.018	42%	0.418	C	S	.	.	S	Bend	trans	-97	156.5	133.8	149.4	0	0	0	0	105.1	G779 G780 Q921 A923 D958	V777-G779 PolarHBondContact O-N 2.72Å; V777-G780 PolarHBondContact O-N 2.95Å; V777-Q921 HydrophobicContact CB-CB 3.91Å; V777-Q921 HydrophobicContact CG2-CB 3.5Å; V777-Q921 VanDerWaalsContact CG2-CB 3.5Å; V777-Q921 HydrophobicContact CG2-CG 4.34Å; V777-A923 HydrophobicContact CG1-CB 4.12Å; V777-D958 VanDerWaalsContact CG1-O 3.25Å; V777-D958 WeakPolarHBondContact CG1-O 3.16Å
778	V	45.9	Very low	55	Low	36 Å²	36	73.3 Å²	73.3	22%	0.218	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-59.7	114.6	-177.2	-162.4	0	0	0	0	107.9	G780 H956 V957 D958 C988 A989	V778-G780 PolarHBondContact O-N 3.22Å; V778-H956 CarbonylContact C-O 3.59Å; V778-H956 VanDerWaalsContact C-O 3.28Å; V778-V957 VanDerWaalsContact O-CA 3.26Å; V778-V957 WeakPolarHBondContact O-CA 3.46Å; V778-D958 PolarHBondContact O-N 2.03Å; V778-C988 HydrophobicContact CG2-CB 4.4Å; V778-A989 HydrophobicContact CB-CB 3.76Å; V778-A989 HydrophobicContact CG1-CB 3.49Å; V778-A989 VanDerWaalsContact CG1-CB 3.49Å; V778-A989 HydrophobicContact CG2-CB 4.39Å
779	G	47.7	Very low	58	Low	51 Å²	51	70.4 Å²	70.4	53%	0.526	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	5.8	-173.2	0	0	0	0	0	117.5	V777 H956	V777-G779 PolarHBondContact O-N 2.72Å; G779-H956 VanDerWaalsContact CA-O 3.24Å; G779-H956 WeakPolarHBondContact CA-O 3.4Å; G779-H956 PolarHBondContact N-O 3.17Å
780	G	59.5	Low	61	Low	10 Å²	10	64.7 Å²	64.7	10%	0.103	33%	0.331	C	S	.	.			trans	-85.1	-167.7	177.6	0	0	0	0	0	114.3	A775 V777 V778 A922	A775-G780 WeakPolarHBondContact CB-O 3.14Å; V777-G780 PolarHBondContact O-N 2.95Å; V778-G780 PolarHBondContact O-N 3.22Å; G780-A922 CarbonylContact C-O 3.49Å; G780-A922 WeakPolarHBondContact CA-O 3.43Å
781	F	71.5	Confident	63.9	Low	47 Å²	47	58.6 Å²	58.6	21%	0.206	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.7	177.6	55.2	-99.3	0	0	0	112.5	F764 A766 V783 F788 Q921 A922	F764-F781 HydrophobicContact CD1-CD2 4.42Å; F764-F781 AromaticContact CD1-CE2 3.81Å; F764-F781 HydrophobicContact CD1-CE2 3.81Å; F764-F781 HydrophobicContact CD1-CZ 4.32Å; F764-F781 AromaticContact CE1-CD2 3.48Å; F764-F781 HydrophobicContact CE1-CD2 3.48Å; F764-F781 VanDerWaalsContact CE1-CD2 3.48Å; F764-F781 AromaticContact CE1-CE2 3.27Å; F764-F781 HydrophobicContact CE1-CE2 3.27Å; F764-F781 HydrophobicContact CE1-CG 4.3Å; F764-F781 AromaticContact CE1-CZ 3.94Å; F764-F781 HydrophobicContact CE1-CZ 3.94Å; F764-F781 AromaticContact CZ-CD2 3.96Å; F764-F781 HydrophobicContact CZ-CD2 3.96Å; F764-F781 HydrophobicContact CZ-CE2 4.17Å; A766-F781 HydrophobicContact CB-CD1 4.15Å; A766-F781 HydrophobicContact CB-CE1 3.99Å; F781-V783 HydrophobicContact CE2-CG2 4.34Å; F781-F788 HydrophobicContact CE2-CE2 4.36Å; F781-Q921 WeakPolarHBondContact O-CA 3.42Å; F781-Q921 PolarHBondContact O-OE1 3.13Å; F781-A922 HydrophobicContact CD2-CB 4.48Å; F781-A922 HydrophobicContact CE2-CB 3.8Å; F781-A922 HydrophobicContact CZ-CB 3.92Å; F781-A922 PolarHBondContact N-O 3.45Å; F781-A922 PolarHBondContact O-N 3.11Å
782	E	77.9	Confident	66.8	Low	72 Å²	72	50.6 Å²	50.6	34%	0.336	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.5	171.6	-177.7	169.1	125	0	0	110.2	R919	E782-R919 VanDerWaalsContact CD-CD 3.45Å; E782-R919 HydrophobicContact CG-CB 4.2Å; E782-R919 WeakPolarHBondContact OE1-CD 3.45Å; E782-R919 IonicContact OE1-CZ 3.23Å; E782-R919 IonicContact OE1-NE 3.25Å; E782-R919 IonicContact OE1-NH1 2.68Å; E782-R919 PolarHBondContact OE1-NH1 3.24Å
783	V	82.2	Confident	70	Confident	3 Å²	3	47 Å²	47	2%	0.018	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-85.3	139.7	-172.6	177.4	0	0	0	0	110	F781 A787 F788 W836 L920 A922	F781-V783 HydrophobicContact CE2-CG2 4.34Å; V783-A787 HydrophobicContact CG1-CB 3.84Å; V783-F788 HydrophobicContact CB-CD2 4.41Å; V783-F788 HydrophobicContact CG1-CD2 3.57Å; V783-F788 HydrophobicContact CG1-CE2 3.96Å; V783-F788 HydrophobicContact CG2-CD2 3.84Å; V783-F788 HydrophobicContact CG2-CE2 3.89Å; V783-W836 PolarHBondContact O-NE1 3.46Å; V783-L920 HydrophobicContact CB-CB 4.36Å; V783-L920 HydrophobicContact CB-CD2 4.39Å; V783-L920 HydrophobicContact CB-CG 4.18Å; V783-L920 WeakPolarHBondContact CB-O 3.16Å; V783-L920 HydrophobicContact CG1-CD2 4.14Å; V783-L920 HydrophobicContact CG1-CG 4.46Å; V783-L920 HydrophobicContact CG2-CG 4.2Å; V783-L920 PolarHBondContact N-O 3.3Å; V783-A922 HydrophobicContact CG2-CB 3.45Å; V783-A922 VanDerWaalsContact CG2-CB 3.45Å
784	R	83.3	Confident	73.1	Confident	116 Å²	116	36.1 Å²	36.1	44%	0.438	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-70.5	131.6	165.9	-76.4	-171	-179.7	174.1	-11.4	110	V762 F764 G786 A787	V762-R784 HydrophobicContact CG1-CB 4.07Å; F764-R784 HydrophobicContact CD2-CB 4.13Å; F764-R784 HydrophobicContact CD2-CG 3.72Å; F764-R784 HydrophobicContact CE2-CG 3.82Å; R784-G786 PolarHBondContact O-N 2.99Å; R784-A787 WeakPolarHBondContact O-CB 3.35Å; R784-A787 PolarHBondContact O-N 3.18Å
785	H	85.7	Confident	76.1	Confident	44 Å²	44	28.8 Å²	28.8	20%	0.204	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.7	125.7	173.2	-172.1	-162.3	0	0	0	111.9	W836 D842 T844 F885	H785-W836 HydrophobicContact CB-CB 4.47Å; H785-W836 HydrophobicContact CB-CD2 3.92Å; H785-W836 HydrophobicContact CB-CE3 4.32Å; H785-W836 HydrophobicContact CB-CG 3.96Å; H785-W836 VanDerWaalsContact CD2-CB 3.47Å; H785-W836 WeakPolarHBondContact CD2-CB 3.18Å; H785-W836 AromaticContact CD2-CG 3.91Å; H785-D842 IonicContact CE1-OD1 3.69Å; H785-D842 IonicContact CE1-OD2 2.93Å; H785-D842 PolarHBondContact CE1-OD2 3.36Å; H785-D842 IonicContact ND1-OD2 3.86Å; H785-D842 IonicContact NE2-OD1 3.88Å; H785-D842 IonicContact NE2-OD2 3.16Å; H785-D842 PolarHBondContact NE2-OD2 2.03Å; H785-D842 VanDerWaalsContact NE2-OD2 3.16Å; H785-T844 PolarHBondContact NE2-OG1 2.85Å; H785-F885 HydrophobicContact CB-CE1 4.41Å; H785-F885 AromaticContact CD2-CD1 3.58Å; H785-F885 AromaticContact CD2-CE1 3.9Å; H785-F885 AromaticContact CE1-CD1 3.75Å; H785-F885 AromaticContact CE1-CE1 3.54Å; H785-F885 AromaticContact CE1-CZ 3.78Å; H785-F885 AromaticContact CG-CD1 3.74Å; H785-F885 AromaticContact CG-CE1 3.58Å; H785-F885 AromaticContact ND1-CD1 3.82Å; H785-F885 AromaticContact ND1-CE1 3.3Å; H785-F885 VanDerWaalsContact ND1-CE1 3.3Å; H785-F885 WeakPolarHBondContact ND1-CE1 3.38Å; H785-F885 AromaticContact ND1-CZ 3.76Å; H785-F885 AromaticContact NE2-CD1 3.59Å; H785-F885 AromaticContact NE2-CE1 3.87Å; H785-F885 AromaticContact NE2-CG 3.93Å
786	G	85.7	Confident	78.8	Confident	8 Å²	8	27.3 Å²	27.3	8%	0.082	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	2	-177.7	0	0	0	0	0	117	T760 R784 P789	T760-G786 PolarHBondContact OG1-O 3.39Å; R784-G786 PolarHBondContact O-N 2.99Å; G786-P789 WeakPolarHBondContact O-CD 3.28Å
787	A	87.5	Confident	80.3	Confident	2 Å²	2	27.9 Å²	27.9	2%	0.017	15%	0.147	C	C	.	.	S	Bend	trans	-73.8	-35.1	178	0	0	0	0	0	113.8	T760 V762 F764 V783 R784 P789	T760-A787 WeakPolarHBondContact CB-O 3.35Å; T760-A787 PolarHBondContact OG1-O 3.02Å; V762-A787 HydrophobicContact CB-CB 4.34Å; V762-A787 HydrophobicContact CG1-CB 4.27Å; F764-A787 HydrophobicContact CB-CB 4.13Å; V783-A787 HydrophobicContact CG1-CB 3.84Å; R784-A787 WeakPolarHBondContact O-CB 3.35Å; R784-A787 PolarHBondContact O-N 3.18Å; A787-P789 WeakPolarHBondContact O-CD 3.44Å
788	F	92.5	Very high	81.8	Confident	13 Å²	13	32.4 Å²	32.4	6%	0.057	17%	0.171	C	C	.	.	S	Bend	trans	-119.9	68.2	173.8	-57.8	-58	0	0	0	110.8	F781 V783 W790 T791 T905 A922 Y976	F781-F788 HydrophobicContact CE2-CE2 4.36Å; V783-F788 HydrophobicContact CB-CD2 4.41Å; V783-F788 HydrophobicContact CG1-CD2 3.57Å; V783-F788 HydrophobicContact CG1-CE2 3.96Å; V783-F788 HydrophobicContact CG2-CD2 3.84Å; V783-F788 HydrophobicContact CG2-CE2 3.89Å; F788-W790 AromaticContact CD1-CZ2 3.77Å; F788-W790 HydrophobicContact CD1-CZ2 3.77Å; F788-W790 PolarHBondContact O-N 3.39Å; F788-T791 PolarHBondContact O-N 3.32Å; F788-T791 PolarHBondContact O-OG1 3.18Å; F788-T905 HydrophobicContact CE1-CG2 3.87Å; F788-T905 HydrophobicContact CE2-CG2 4.06Å; F788-T905 HydrophobicContact CZ-CG2 3.6Å; F788-A922 HydrophobicContact CD2-CB 3.87Å; F788-A922 HydrophobicContact CE2-CB 3.39Å; F788-A922 HydrophobicContact CZ-CB 4.25Å; F788-Y976 HydrophobicContact CE1-CE1 4.5Å
789	P	94.2	Very high	83.3	Confident	4 Å²	4	35.1 Å²	35.1	3%	0.026	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.9	-166.8	31.5	-39.1	0	0	0	115.3	G786 A787 F885 V886 Q887	G786-P789 WeakPolarHBondContact O-CD 3.28Å; A787-P789 WeakPolarHBondContact O-CD 3.44Å; P789-F885 WeakPolarHBondContact CA-O 3.4Å; P789-F885 VanDerWaalsContact CB-C 3.48Å; P789-F885 VanDerWaalsContact CB-O 3.3Å; P789-F885 WeakPolarHBondContact CB-O 3.33Å; P789-V886 WeakPolarHBondContact O-CA 3.33Å; P789-Q887 CarbonylContact C-O 3.59Å; P789-Q887 HydrophobicContact CB-CB 4.05Å; P789-Q887 HydrophobicContact CB-CG 4.25Å; P789-Q887 HydrophobicContact CG-CB 3.82Å; P789-Q887 HydrophobicContact CG-CG 4.1Å; P789-Q887 PolarHBondContact O-N 2.72Å
790	W	96.4	Very high	84.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.5	175.2	43.1	76.4	0	0	0	113.6	F788 A792 S806 I807 Q887 I889 Y976	F788-W790 AromaticContact CD1-CZ2 3.77Å; F788-W790 HydrophobicContact CD1-CZ2 3.77Å; F788-W790 PolarHBondContact O-N 3.39Å; W790-A792 PolarHBondContact O-N 2.88Å; W790-S806 WeakPolarHBondContact O-CA 3.19Å; W790-I807 WeakPolarHBondContact O-CG1 3.23Å; W790-I807 PolarHBondContact O-N 2.84Å; W790-Q887 WeakPolarHBondContact CA-O 3Å; W790-Q887 VanDerWaalsContact CB-O 3.31Å; W790-Q887 WeakPolarHBondContact CB-O 3.43Å; W790-Q887 PolarHBondContact N-O 3.29Å; W790-I889 HydrophobicContact CB-CB 3.77Å; W790-I889 HydrophobicContact CB-CG2 4.31Å; W790-I889 HydrophobicContact CD2-CB 3.97Å; W790-I889 HydrophobicContact CD2-CD1 4.23Å; W790-I889 HydrophobicContact CD2-CG1 4.2Å; W790-I889 HydrophobicContact CE3-CB 4.35Å; W790-I889 HydrophobicContact CG-CB 3.69Å; W790-I889 HydrophobicContact CG-CD1 4.2Å; W790-I889 HydrophobicContact CG-CG1 4.28Å; W790-Y976 HydrophobicContact CH2-CD1 4.27Å; W790-Y976 AromaticContact CH2-CD2 3.34Å; W790-Y976 HydrophobicContact CH2-CD2 3.34Å; W790-Y976 HydrophobicContact CH2-CE2 4.04Å; W790-Y976 AromaticContact CH2-CG 3.45Å; W790-Y976 HydrophobicContact CH2-CG 3.45Å; W790-Y976 VanDerWaalsContact CH2-CG 3.45Å; W790-Y976 AromaticContact CZ2-CD1 3.95Å; W790-Y976 HydrophobicContact CZ2-CD1 3.95Å; W790-Y976 AromaticContact CZ2-CD2 3.89Å; W790-Y976 HydrophobicContact CZ2-CD2 3.89Å; W790-Y976 HydrophobicContact CZ2-CE2 4.49Å; W790-Y976 AromaticContact CZ2-CG 3.55Å; W790-Y976 HydrophobicContact CZ2-CG 3.55Å; W790-Y976 HydrophobicContact CZ3-CD2 4.32Å; W790-Y976 HydrophobicContact CZ3-CG 4.47Å
791	T	95.6	Very high	86.1	Confident	5 Å²	5	40.3 Å²	40.3	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.9	-179.6	-47.5	0	0	0	0	109.8	F788 S907 W909 L920 P967	F788-T791 PolarHBondContact O-N 3.32Å; F788-T791 PolarHBondContact O-OG1 3.18Å; T791-S907 PolarHBondContact OG1-OG 3.16Å; T791-W909 HydrophobicContact CG2-CH2 4.23Å; T791-W909 HydrophobicContact CG2-CZ3 3.86Å; T791-L920 HydrophobicContact CG2-CD1 3.99Å; T791-P967 HydrophobicContact CG2-CG 4.49Å
792	A	95.8	Very high	86.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.6	178.7	0	0	0	0	0	110.8	W790 G804 A805 I807 L813 I831 V832 V833	W790-A792 PolarHBondContact O-N 2.88Å; A792-G804 CarbonylContact O-C 3.58Å; A792-G804 WeakPolarHBondContact O-CA 3.49Å; A792-A805 HydrophobicContact CB-CB 4.16Å; A792-A805 PolarHBondContact N-O 3.04Å; A792-A805 PolarHBondContact O-N 3.07Å; A792-I807 HydrophobicContact CB-CG1 4.29Å; A792-L813 HydrophobicContact CB-CD2 3.49Å; A792-L813 VanDerWaalsContact CB-CD2 3.49Å; A792-I831 HydrophobicContact CB-CG2 4.48Å; A792-V832 WeakPolarHBondContact CA-O 3.16Å; A792-V833 HydrophobicContact CB-CG1 3.86Å
793	A	94.1	Very high	87.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131	176.1	0	0	0	0	0	110.8	K795 V832 W909	A793-K795 HydrophobicContact CB-CG 4.25Å; A793-V832 PolarHBondContact N-O 2.89Å; A793-V832 PolarHBondContact O-N 2.03Å; A793-W909 HydrophobicContact CB-CE3 4.25Å; A793-W909 HydrophobicContact CB-CH2 4.29Å; A793-W909 HydrophobicContact CB-CZ3 3.86Å
794	I	93.8	Very high	88.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.4	168	-55	-177.6	0	0	0	107.2	L802 C803 A805 S815 F820 Y829 I831 I870	I794-L802 PolarHBondContact O-N 3.29Å; I794-C803 HydrophobicContact CB-CB 4.18Å; I794-C803 WeakPolarHBondContact CB-O 3.49Å; I794-C803 HydrophobicContact CD1-CB 3.99Å; I794-C803 HydrophobicContact CG1-CB 4.4Å; I794-C803 PolarHBondContact N-O 2.95Å; I794-C803 PolarHBondContact O-N 3.22Å; I794-A805 HydrophobicContact CD1-CB 4.15Å; I794-A805 HydrophobicContact CG1-CB 4.14Å; I794-S815 WeakPolarHBondContact CD1-OG 3.47Å; I794-F820 HydrophobicContact CD1-CE2 4.45Å; I794-F820 HydrophobicContact CD1-CZ 3.92Å; I794-Y829 HydrophobicContact CG2-CD1 3.51Å; I794-Y829 HydrophobicContact CG2-CE1 3.97Å; I794-I831 HydrophobicContact CG1-CD1 3.88Å; I794-I831 HydrophobicContact CG2-CD1 4.45Å; I794-I870 HydrophobicContact CD1-CD1 3.86Å
795	K	91.2	Very high	88.8	Confident	10 Å²	10	31.8 Å²	31.8	4%	0.043	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	142	-177.3	-57.1	-173.3	-177.1	-175.5	0	111.3	A793 R800 S830 V832 D835	A793-K795 HydrophobicContact CB-CG 4.25Å; K795-R800 VanDerWaalsContact CA-O 3.3Å; K795-R800 WeakPolarHBondContact CA-O 3.45Å; K795-S830 PolarHBondContact N-O 2.8Å; K795-S830 PolarHBondContact O-N 2.84Å; K795-S830 PolarHBondContact O-OG 2.89Å; K795-V832 HydrophobicContact CD-CG2 3.91Å; K795-V832 HydrophobicContact CG-CG2 4.36Å; K795-D835 VanDerWaalsContact CE-OD2 3.28Å; K795-D835 WeakPolarHBondContact CE-OD2 3.05Å; K795-D835 IonicContact NZ-OD2 3.72Å; K795-D835 PolarHBondContact NZ-OD2 2.8Å
796	L	86	Confident	89.4	Confident	16 Å²	16	29.7 Å²	29.7	8%	0.084	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	174.2	170.1	-68.6	166.5	0	0	0	111.2	D798 N799 R800 V823 L828 Y829	L796-D798 WeakPolarHBondContact CB-OD1 3.01Å; L796-D798 PolarHBondContact O-N 2.94Å; L796-N799 WeakPolarHBondContact O-CA 3.42Å; L796-N799 PolarHBondContact O-N 3.12Å; L796-R800 VanDerWaalsContact CD1-NH2 3.29Å; L796-R800 PolarHBondContact N-O 3.23Å; L796-R800 VanDerWaalsContact N-O 3.14Å; L796-V823 HydrophobicContact CD2-CG1 4.5Å; L796-L828 CarbonylContact C-O 3.6Å; L796-L828 WeakPolarHBondContact CA-O 3.4Å; L796-L828 HydrophobicContact CD2-CB 4.39Å; L796-Y829 HydrophobicContact CD2-CD2 4.4Å; L796-Y829 HydrophobicContact CD2-CE2 4.35Å
797	E	77.1	Confident	90	Very high	145 Å²	145	29.3 Å²	29.3	68%	0.678	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.5	-179.3	-65.4	-162.2	133.3	0	0	114.2	N799 L828	E797-N799 PolarHBondContact O-N 2.69Å; E797-L828 HydrophobicContact CG-CB 4.35Å; E797-L828 HydrophobicContact CG-CD2 3.98Å; E797-L828 PolarHBondContact N-O 2.97Å; E797-L828 VanDerWaalsContact N-O 3.15Å
798	D	75.1	Confident	90.4	Very high	99 Å²	99	30.1 Å²	30.1	53%	0.529	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	8.7	174.7	67.5	-13	0	0	0	113.6	L796 R800	L796-D798 WeakPolarHBondContact CB-OD1 3.01Å; L796-D798 PolarHBondContact O-N 2.94Å; D798-R800 VanDerWaalsContact CG-CB 3.45Å; D798-R800 PolarHBondContact O-N 3.23Å; D798-R800 VanDerWaalsContact O-N 3.12Å; D798-R800 WeakPolarHBondContact OD1-CB 3.22Å; D798-R800 PolarHBondContact OD1-N 3.33Å; D798-R800 IonicContact OD1-NE 3.26Å; D798-R800 WeakPolarHBondContact OD2-CB 3.03Å; D798-R800 IonicContact OD2-CZ 2.68Å; D798-R800 IonicContact OD2-NE 3.77Å; D798-R800 PolarHBondContact OD2-NE 2.01Å; D798-R800 VanDerWaalsContact OD2-NE 3.14Å; D798-R800 IonicContact OD2-NH2 3.98Å
799	N	76.9	Confident	90.5	Very high	92 Å²	92	30.7 Å²	30.7	49%	0.492	15%	0.15	S	C	.	.			trans	57.3	13.3	-171.5	-92	-15.1	0	0	0	114	L796 E797 H801 K847	L796-N799 WeakPolarHBondContact O-CA 3.42Å; L796-N799 PolarHBondContact O-N 3.12Å; E797-N799 PolarHBondContact O-N 2.69Å; N799-H801 PolarHBondContact O-N 2.91Å; N799-K847 PolarHBondContact OD1-NZ 3.15Å
800	R	81.3	Confident	90.4	Very high	145 Å²	145	34 Å²	34	55%	0.547	17%	0.167	S	C	.	.			trans	-73.3	126	177.1	-177	176.3	54.1	163.4	4.8	110.1	K795 L796 D798 L802	K795-R800 VanDerWaalsContact CA-O 3.3Å; K795-R800 WeakPolarHBondContact CA-O 3.45Å; L796-R800 VanDerWaalsContact CD1-NH2 3.29Å; L796-R800 PolarHBondContact N-O 3.23Å; L796-R800 VanDerWaalsContact N-O 3.14Å; D798-R800 VanDerWaalsContact CG-CB 3.45Å; D798-R800 PolarHBondContact O-N 3.23Å; D798-R800 VanDerWaalsContact O-N 3.12Å; D798-R800 WeakPolarHBondContact OD1-CB 3.22Å; D798-R800 PolarHBondContact OD1-N 3.33Å; D798-R800 IonicContact OD1-NE 3.26Å; D798-R800 WeakPolarHBondContact OD2-CB 3.03Å; D798-R800 IonicContact OD2-CZ 2.68Å; D798-R800 IonicContact OD2-NE 3.77Å; D798-R800 PolarHBondContact OD2-NE 2.01Å; D798-R800 VanDerWaalsContact OD2-NE 3.14Å; D798-R800 IonicContact OD2-NH2 3.98Å; R800-L802 PolarHBondContact O-N 2.97Å
801	H	84.6	Confident	90.3	Very high	25 Å²	25	37 Å²	37	12%	0.116	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	126.7	170.9	-177	77.6	0	0	0	111	N799 C803 W909 G962	N799-H801 PolarHBondContact O-N 2.91Å; H801-C803 VanDerWaalsContact CE1-C 3.45Å; H801-C803 PolarHBondContact CE1-O 2.87Å; H801-W909 AromaticContact CE1-CE3 3.75Å; H801-G962 PolarHBondContact NE2-O 2.86Å
802	L	87.9	Confident	90.3	Very high	56 Å²	56	37.2 Å²	37.2	29%	0.293	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-53.9	179.3	-176.4	70.5	0	0	0	111.3	I794 R800 Y829	I794-L802 PolarHBondContact O-N 3.29Å; R800-L802 PolarHBondContact O-N 2.97Å; L802-Y829 HydrophobicContact CD2-CE1 3.76Å
803	C	93	Very high	90.4	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	160.4	-174.3	-81.1	0	0	0	0	111.4	I794 H801 C819 S964	I794-C803 HydrophobicContact CB-CB 4.18Å; I794-C803 WeakPolarHBondContact CB-O 3.49Å; I794-C803 HydrophobicContact CD1-CB 3.99Å; I794-C803 HydrophobicContact CG1-CB 4.4Å; I794-C803 PolarHBondContact N-O 2.95Å; I794-C803 PolarHBondContact O-N 3.22Å; H801-C803 VanDerWaalsContact CE1-C 3.45Å; H801-C803 PolarHBondContact CE1-O 2.87Å; C803-C819 HydrophobicContact CB-CB 3.77Å; C803-C819 WeakPolarHBondContact CB-SG 3.34Å; C803-C819 WeakPolarHBondContact SG-CB 3.41Å; C803-C819 CovalentContact SG-SG 2.03Å; C803-C819 PolarHBondContact SG-SG 2.78Å; C803-S964 CarbonylContact C-O 3.52Å; C803-S964 WeakPolarHBondContact CA-O 3.25Å; C803-S964 VanDerWaalsContact CB-O 3.22Å; C803-S964 WeakPolarHBondContact CB-O 3.31Å
804	G	93.8	Very high	90.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	167.7	164.5	0	0	0	0	0	113.2	A792 S815 S964 G965	A792-G804 CarbonylContact O-C 3.58Å; A792-G804 WeakPolarHBondContact O-CA 3.49Å; G804-S815 PolarHBondContact O-OG 2.8Å; G804-S964 PolarHBondContact N-O 3.16Å; G804-G965 CarbonylContact C-O 3.58Å; G804-G965 CarbonylContact O-C 3.54Å; G804-G965 WeakPolarHBondContact O-CA 3.28Å
805	A	97	Very high	90.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	167.8	165.9	0	0	0	0	0	110.4	A792 I794 L813 I814 I870 G965	A792-A805 HydrophobicContact CB-CB 4.16Å; A792-A805 PolarHBondContact N-O 3.04Å; A792-A805 PolarHBondContact O-N 3.07Å; I794-A805 HydrophobicContact CD1-CB 4.15Å; I794-A805 HydrophobicContact CG1-CB 4.14Å; A805-L813 HydrophobicContact CB-CB 4.26Å; A805-L813 HydrophobicContact CB-CD2 4.15Å; A805-I814 CarbonylContact C-O 3.5Å; A805-I814 WeakPolarHBondContact CA-O 3.39Å; A805-I870 HydrophobicContact CB-CD1 4.37Å; A805-G965 WeakPolarHBondContact CA-O 3.43Å
806	S	98	Very high	91	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.9	-179.9	-54.4	0	0	0	0	110.7	W790 V808 L813 I814 P967 L978	W790-S806 WeakPolarHBondContact O-CA 3.19Å; S806-V808 PolarHBondContact O-N 2.9Å; S806-L813 CarbonylContact O-C 3.37Å; S806-L813 WeakPolarHBondContact O-CA 3.48Å; S806-L813 WeakPolarHBondContact O-CB 3.41Å; S806-I814 PolarHBondContact N-O 3.18Å; S806-I814 PolarHBondContact O-N 3.41Å; S806-P967 WeakPolarHBondContact OG-CB 3.14Å; S806-L978 WeakPolarHBondContact OG-CD1 3.4Å
807	I	97.7	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.7	176.9	-55.6	168.9	0	0	0	109.3	W790 A792 S809 L813 V833 I880 F882 V886 P888 I889	W790-I807 WeakPolarHBondContact O-CG1 3.23Å; W790-I807 PolarHBondContact O-N 2.84Å; A792-I807 HydrophobicContact CB-CG1 4.29Å; I807-S809 WeakPolarHBondContact CG2-O 3.37Å; I807-L813 HydrophobicContact CG1-CD2 3.88Å; I807-L813 HydrophobicContact CG1-CG 4.46Å; I807-V833 HydrophobicContact CD1-CB 3.71Å; I807-V833 HydrophobicContact CD1-CG1 3.52Å; I807-V833 HydrophobicContact CG1-CG1 3.83Å; I807-I880 HydrophobicContact CG1-CD1 4.4Å; I807-I880 HydrophobicContact CG2-CD1 3.9Å; I807-F882 HydrophobicContact CG2-CE1 4.06Å; I807-V886 HydrophobicContact CD1-CG1 3.78Å; I807-P888 HydrophobicContact CG2-CB 4.36Å; I807-P888 CarbonylContact O-C 3.49Å; I807-P888 VanDerWaalsContact O-CA 3.28Å; I807-P888 WeakPolarHBondContact O-CA 3.27Å; I807-I889 PolarHBondContact O-N 2.8Å
808	V	96.5	Very high	92.2	Very high	19 Å²	19	30.7 Å²	30.7	12%	0.115	15%	0.149	C	C	.	.			trans	-119.1	-20.8	178.3	-65.2	0	0	0	0	113.5	S806 H812 I814 I889 L891 L978 L1011	S806-V808 PolarHBondContact O-N 2.9Å; V808-H812 HydrophobicContact CG2-CB 4.12Å; V808-H812 WeakPolarHBondContact CG2-O 3.46Å; V808-H812 PolarHBondContact N-O 2.96Å; V808-H812 VanDerWaalsContact N-O 3.09Å; V808-I814 HydrophobicContact CG1-CD1 3.93Å; V808-I814 HydrophobicContact CG1-CG1 4.02Å; V808-I814 HydrophobicContact CG2-CD1 4.39Å; V808-I814 HydrophobicContact CG2-CG1 4.06Å; V808-I889 HydrophobicContact CG1-CG2 4.16Å; V808-L891 HydrophobicContact CG1-CD2 3.97Å; V808-L978 HydrophobicContact CG1-CD2 4.38Å; V808-L1011 HydrophobicContact CG2-CD2 3.94Å
809	S	93.8	Very high	93	Very high	24 Å²	24	26.2 Å²	26.2	17%	0.168	13%	0.125	C	C	.	.	S	Bend	trans	-146.9	-174.1	170.3	81.3	0	0	0	0	111.3	I807 Y811 H812	I807-S809 WeakPolarHBondContact CG2-O 3.37Å; S809-Y811 PolarHBondContact O-N 3.23Å; S809-Y811 PolarHBondContact OG-N 3.21Å; S809-Y811 VanDerWaalsContact OG-N 3.11Å; S809-H812 PolarHBondContact N-O 2.86Å; S809-H812 VanDerWaalsContact N-O 3.16Å; S809-H812 WeakPolarHBondContact OG-CB 3.37Å; S809-H812 PolarHBondContact OG-N 3.27Å; S809-H812 PolarHBondContact OG-ND1 3.47Å
810	N	92.6	Very high	93.7	Very high	73 Å²	73	22.7 Å²	22.7	39%	0.39	11%	0.106	S	C	.	.	S	Bend	trans	-69.6	-16.5	172.4	56.7	-20.7	0	0	0	113.7	G879 I880 F882	N810-G879 CarbonylContact O-C 3.59Å; N810-G879 WeakPolarHBondContact O-CA 3.49Å; N810-I880 PolarHBondContact O-N 2.89Å; N810-F882 HydrophobicContact CB-CE2 4.48Å; N810-F882 HydrophobicContact CB-CZ 4.22Å
811	Y	94	Very high	93.8	Very high	63 Å²	63	20.2 Å²	20.2	25%	0.247	10%	0.101	C	C	.	.	S	Bend	trans	-124.6	-11.6	-179.9	-66.4	-70.2	0	0	0	114.4	S809 K871 I872 P874 G879	S809-Y811 PolarHBondContact O-N 3.23Å; S809-Y811 PolarHBondContact OG-N 3.21Å; S809-Y811 VanDerWaalsContact OG-N 3.11Å; Y811-K871 WeakPolarHBondContact O-CA 3.47Å; Y811-I872 VanDerWaalsContact O-CG1 3.26Å; Y811-I872 WeakPolarHBondContact O-CG1 3.49Å; Y811-I872 PolarHBondContact O-N 2.66Å; Y811-P874 HydrophobicContact CD1-CG 4.35Å; Y811-P874 HydrophobicContact CE1-CB 4.15Å; Y811-P874 HydrophobicContact CE1-CG 3.87Å; Y811-G879 PolarHBondContact OH-N 2.66Å
812	H	96.3	Very high	93.5	Very high	11 Å²	11	26.5 Å²	26.5	5%	0.051	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.6	-169.2	-55.4	119.7	0	0	0	113.4	V808 S809 I870 K871 L1011	V808-H812 HydrophobicContact CG2-CB 4.12Å; V808-H812 WeakPolarHBondContact CG2-O 3.46Å; V808-H812 PolarHBondContact N-O 2.96Å; V808-H812 VanDerWaalsContact N-O 3.09Å; S809-H812 PolarHBondContact N-O 2.86Å; S809-H812 VanDerWaalsContact N-O 3.16Å; S809-H812 WeakPolarHBondContact OG-CB 3.37Å; S809-H812 PolarHBondContact OG-N 3.27Å; S809-H812 PolarHBondContact OG-ND1 3.47Å; H812-I870 VanDerWaalsContact CA-O 3.32Å; H812-I870 WeakPolarHBondContact CA-O 3.26Å; H812-K871 WeakPolarHBondContact NE2-CG 3.19Å; H812-L1011 HydrophobicContact CB-CD2 3.25Å; H812-L1011 VanDerWaalsContact CG-CD2 3.45Å; H812-L1011 WeakPolarHBondContact ND1-CD2 3.27Å
813	L	97.9	Very high	93	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	157.3	172.7	-53.8	92.8	0	0	0	110.4	A792 A805 S806 I807 I831 V833 V869 I870 I872 I880	A792-L813 HydrophobicContact CB-CD2 3.49Å; A792-L813 VanDerWaalsContact CB-CD2 3.49Å; A805-L813 HydrophobicContact CB-CB 4.26Å; A805-L813 HydrophobicContact CB-CD2 4.15Å; S806-L813 CarbonylContact O-C 3.37Å; S806-L813 WeakPolarHBondContact O-CA 3.48Å; S806-L813 WeakPolarHBondContact O-CB 3.41Å; I807-L813 HydrophobicContact CG1-CD2 3.88Å; I807-L813 HydrophobicContact CG1-CG 4.46Å; L813-I831 HydrophobicContact CD1-CG2 4.04Å; L813-I831 HydrophobicContact CD2-CG2 3.7Å; L813-V833 HydrophobicContact CD2-CG1 4.18Å; L813-V869 WeakPolarHBondContact O-CA 3.37Å; L813-I870 HydrophobicContact CB-CB 4.45Å; L813-I870 PolarHBondContact N-O 3.27Å; L813-I870 PolarHBondContact O-N 2.77Å; L813-I872 HydrophobicContact CD1-CG2 3.72Å; L813-I880 HydrophobicContact CD1-CD1 4.28Å
814	I	98.1	Very high	92.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.4	172.8	-60.5	-175.8	0	0	0	109.4	A805 S806 V808 I867 A868 V869 L891 L978 V981 I1007	A805-I814 CarbonylContact C-O 3.5Å; A805-I814 WeakPolarHBondContact CA-O 3.39Å; S806-I814 PolarHBondContact N-O 3.18Å; S806-I814 PolarHBondContact O-N 3.41Å; V808-I814 HydrophobicContact CG1-CD1 3.93Å; V808-I814 HydrophobicContact CG1-CG1 4.02Å; V808-I814 HydrophobicContact CG2-CD1 4.39Å; V808-I814 HydrophobicContact CG2-CG1 4.06Å; I814-I867 HydrophobicContact CG2-CD1 3.95Å; I814-I867 HydrophobicContact CG2-CG1 3.89Å; I814-A868 WeakPolarHBondContact CA-O 3.44Å; I814-V869 HydrophobicContact CG1-CG2 4.43Å; I814-L891 HydrophobicContact CD1-CD2 3.73Å; I814-L978 HydrophobicContact CB-CD2 4.15Å; I814-L978 HydrophobicContact CD1-CD2 4.16Å; I814-L978 HydrophobicContact CG2-CD2 4.32Å; I814-V981 HydrophobicContact CG2-CG2 3.74Å; I814-I1007 HydrophobicContact CD1-CD1 3.9Å; I814-I1007 HydrophobicContact CD1-CG1 4.19Å; I814-I1007 HydrophobicContact CD1-CG2 3.83Å
815	S	97.3	Very high	91.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-172.3	175.9	-167.8	0	0	0	0	110.2	I794 G804 A868 G965	I794-S815 WeakPolarHBondContact CD1-OG 3.47Å; G804-S815 PolarHBondContact O-OG 2.8Å; S815-A868 PolarHBondContact N-O 2.64Å; S815-A868 PolarHBondContact O-N 3.36Å; S815-G965 WeakPolarHBondContact OG-CA 3.49Å
816	A	96.2	Very high	91.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.2	C	C	.	.			trans	-87.4	150.4	174.3	0	0	0	0	0	110.1	G965 V981	A816-G965 VanDerWaalsContact N-CA 3.34Å; A816-V981 HydrophobicContact CB-CG1 4.04Å
817	A	94.8	Very high	90.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-71.4	-37.6	179.9	0	0	0	0	0	111.8	C819 F820 L855 Y859 D866	A817-C819 PolarHBondContact O-N 2.88Å; A817-F820 PolarHBondContact O-N 2.89Å; A817-L855 HydrophobicContact CB-CD2 3.92Å; A817-Y859 HydrophobicContact CB-CD1 3.81Å; A817-Y859 HydrophobicContact CB-CD2 3.64Å; A817-Y859 HydrophobicContact CB-CE1 3.79Å; A817-Y859 HydrophobicContact CB-CE2 3.6Å; A817-Y859 HydrophobicContact CB-CG 3.74Å; A817-D866 WeakPolarHBondContact CA-OD1 3.4Å; A817-D866 PolarHBondContact N-OD1 2.81Å
818	H	92.5	Very high	90.1	Very high	33 Å²	33	44 Å²	44	15%	0.153	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-61.9	-18.9	-179.8	77.3	-98.7	0	0	0	114.6	F820 E821 Y859 I862 D866 S964 S983	H818-F820 PolarHBondContact O-N 3.43Å; H818-F820 VanDerWaalsContact O-N 3.13Å; H818-E821 PolarHBondContact O-N 2.88Å; H818-Y859 WeakPolarHBondContact CB-OH 3.48Å; H818-I862 HydrophobicContact CB-CG2 3.41Å; H818-I862 VanDerWaalsContact CB-CG2 3.41Å; H818-D866 IonicContact CE1-OD2 3.14Å; H818-D866 PolarHBondContact CE1-OD2 3.44Å; H818-D866 IonicContact CG-OD1 3.88Å; H818-D866 IonicContact CG-OD2 2.82Å; H818-D866 PolarHBondContact N-OD1 3.4Å; H818-D866 IonicContact ND1-OD1 3.08Å; H818-D866 PolarHBondContact ND1-OD1 3.06Å; H818-D866 IonicContact ND1-OD2 3.44Å; H818-D866 PolarHBondContact ND1-OD2 2.99Å; H818-S964 PolarHBondContact CE1-OG 3.2Å; H818-S964 WeakPolarHBondContact NE2-CB 3.38Å; H818-S964 PolarHBondContact NE2-OG 3.24Å; H818-S983 PolarHBondContact CE1-O 2.68Å
819	C	92.8	Very high	89.9	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.034	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-64.1	-12	172.8	-65.7	0	0	0	0	113.8	C803 A817 Y829	C803-C819 HydrophobicContact CB-CB 3.77Å; C803-C819 WeakPolarHBondContact CB-SG 3.34Å; C803-C819 WeakPolarHBondContact SG-CB 3.41Å; C803-C819 CovalentContact SG-SG 2.03Å; C803-C819 PolarHBondContact SG-SG 2.78Å; A817-C819 PolarHBondContact O-N 2.88Å; C819-Y829 PolarHBondContact O-OH 2.81Å
820	F	90.9	Very high	89.9	Confident	19 Å²	19	42.6 Å²	42.6	8%	0.083	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-120.3	4.4	-178.1	-55.9	-78.6	0	0	0	113.6	I794 A817 H818 Y829 I850 V853 L855 A868 I870	I794-F820 HydrophobicContact CD1-CE2 4.45Å; I794-F820 HydrophobicContact CD1-CZ 3.92Å; A817-F820 PolarHBondContact O-N 2.89Å; H818-F820 PolarHBondContact O-N 3.43Å; H818-F820 VanDerWaalsContact O-N 3.13Å; F820-Y829 HydrophobicContact CD1-CD1 4.21Å; F820-Y829 AromaticContact CD1-CE1 3.68Å; F820-Y829 HydrophobicContact CD1-CE1 3.68Å; F820-Y829 HydrophobicContact CD1-CE2 4.43Å; F820-Y829 AromaticContact CD1-CZ 3.79Å; F820-Y829 AromaticContact CE1-CD1 3.8Å; F820-Y829 HydrophobicContact CE1-CD1 3.8Å; F820-Y829 AromaticContact CE1-CE1 3.64Å; F820-Y829 HydrophobicContact CE1-CE1 3.64Å; F820-Y829 HydrophobicContact CE1-CG 4.47Å; F820-I850 HydrophobicContact CE1-CD1 4.05Å; F820-V853 HydrophobicContact CD1-CG1 4.37Å; F820-V853 HydrophobicContact CD1-CG2 3.98Å; F820-V853 HydrophobicContact CD2-CG1 3.84Å; F820-V853 HydrophobicContact CE1-CG1 4.4Å; F820-V853 HydrophobicContact CE1-CG2 3.76Å; F820-V853 HydrophobicContact CE2-CG1 3.87Å; F820-V853 HydrophobicContact CG-CG1 4.09Å; F820-V853 HydrophobicContact CZ-CG1 4.16Å; F820-V853 HydrophobicContact CZ-CG2 4.1Å; F820-L855 HydrophobicContact CD2-CD2 4.36Å; F820-A868 HydrophobicContact CD2-CB 4.29Å; F820-A868 HydrophobicContact CE2-CB 4.19Å; F820-I870 HydrophobicContact CE2-CD1 4.17Å; F820-I870 HydrophobicContact CE2-CG1 4.25Å; F820-I870 HydrophobicContact CZ-CD1 3.67Å; F820-I870 HydrophobicContact CZ-CG1 3.88Å
821	E	84.9	Confident	90	Very high	93 Å²	93	39.1 Å²	39.1	44%	0.435	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-49.2	176.7	-77.9	-179.5	151.7	0	0	112.9	H818 V823 Y859	H818-E821 PolarHBondContact O-N 2.88Å; E821-V823 PolarHBondContact O-N 2.78Å; E821-Y859 HydrophobicContact CG-CE1 3.98Å; E821-Y859 WeakPolarHBondContact OE1-CE1 3.38Å; E821-Y859 VanDerWaalsContact OE1-CZ 3.24Å; E821-Y859 PolarHBondContact OE1-OH 3.46Å; E821-Y859 PolarHBondContact OE2-OH 2.94Å
822	D	77.5	Confident	90	Very high	157 Å²	157	36.5 Å²	36.5	84%	0.84	20%	0.204	S	C	*	.	S	Bend	trans	-72.8	-28	-171.5	-84.3	-24.6	0	0	0	113.4
823	V	78.3	Confident	90	Very high	38 Å²	38	36 Å²	36	23%	0.23	20%	0.202	C	C	.	.			trans	-129.6	95.1	-178.4	-174.5	0	0	0	0	108.6	L796 E821 D825 L828 Y829	L796-V823 HydrophobicContact CD2-CG1 4.5Å; E821-V823 PolarHBondContact O-N 2.78Å; V823-D825 VanDerWaalsContact C-N 3.27Å; V823-D825 PolarHBondContact O-N 3.3Å; V823-L828 HydrophobicContact CG1-CD1 3.83Å; V823-Y829 HydrophobicContact CB-CE2 3.84Å; V823-Y829 HydrophobicContact CG1-CE2 3.81Å; V823-Y829 VanDerWaalsContact O-CE2 3.25Å; V823-Y829 WeakPolarHBondContact O-CE2 3.35Å; V823-Y829 PolarHBondContact O-OH 3.01Å
824	P	73.2	Confident	89.7	Confident	113 Å²	113	36.2 Å²	36.2	73%	0.734	20%	0.204	S	C	*	.			trans	-75	-15.2	-175.9	28.9	-35.6	0	0	0	113.7	I826	P824-I826 PolarHBondContact O-N 3.27Å
825	D	84.1	Confident	89.4	Confident	78 Å²	78	36.7 Å²	36.7	42%	0.417	21%	0.206	S	C	.	.			trans	-82	97	178.9	-172.3	-10	0	0	0	111.3	V823 S827 L828 Y829	V823-D825 VanDerWaalsContact C-N 3.27Å; V823-D825 PolarHBondContact O-N 3.3Å; D825-S827 PolarHBondContact O-N 3.29Å; D825-S827 VanDerWaalsContact O-N 3.09Å; D825-S827 WeakPolarHBondContact OD1-CB 3.43Å; D825-S827 PolarHBondContact OD1-N 2.93Å; D825-S827 PolarHBondContact OD1-OG 2.67Å; D825-S827 PolarHBondContact OD2-OG 3.34Å; D825-L828 HydrophobicContact CB-CD1 4.1Å; D825-L828 HydrophobicContact CB-CG 4.22Å; D825-L828 PolarHBondContact O-N 3.06Å; D825-Y829 WeakPolarHBondContact O-CD2 2.95Å
826	I	87.5	Confident	89	Confident	61 Å²	61	39 Å²	39	31%	0.313	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-60.6	-14.7	177.6	64.1	169.1	0	0	0	114.1	P824 L828 Y829 V853	P824-I826 PolarHBondContact O-N 3.27Å; I826-L828 VanDerWaalsContact C-N 3.32Å; I826-Y829 PolarHBondContact O-N 3.11Å; I826-V853 HydrophobicContact CG2-CG2 4.08Å
827	S	85	Confident	88.6	Confident	81 Å²	81	39.2 Å²	39.2	57%	0.566	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-71.9	-27.5	178.5	74.3	0	0	0	0	112.8	D825 Y829	D825-S827 PolarHBondContact O-N 3.29Å; D825-S827 VanDerWaalsContact O-N 3.09Å; D825-S827 WeakPolarHBondContact OD1-CB 3.43Å; D825-S827 PolarHBondContact OD1-N 2.93Å; D825-S827 PolarHBondContact OD1-OG 2.67Å; D825-S827 PolarHBondContact OD2-OG 3.34Å; S827-Y829 PolarHBondContact O-N 2.98Å
828	L	89	Confident	88	Confident	56 Å²	56	40.7 Å²	40.7	29%	0.293	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-73.7	-9.9	176.9	-58.2	177.7	0	0	0	113.2	L796 E797 V823 D825 I826	L796-L828 CarbonylContact C-O 3.6Å; L796-L828 WeakPolarHBondContact CA-O 3.4Å; L796-L828 HydrophobicContact CD2-CB 4.39Å; E797-L828 HydrophobicContact CG-CB 4.35Å; E797-L828 HydrophobicContact CG-CD2 3.98Å; E797-L828 PolarHBondContact N-O 2.97Å; E797-L828 VanDerWaalsContact N-O 3.15Å; V823-L828 HydrophobicContact CG1-CD1 3.83Å; D825-L828 HydrophobicContact CB-CD1 4.1Å; D825-L828 HydrophobicContact CB-CG 4.22Å; D825-L828 PolarHBondContact O-N 3.06Å; I826-L828 VanDerWaalsContact C-N 3.32Å
829	Y	92.2	Very high	87.3	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.016	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.5	-176.5	-73.8	-106.2	0	0	0	112.4	I794 L796 L802 C819 F820 V823 D825 I826 S827 I850	I794-Y829 HydrophobicContact CG2-CD1 3.51Å; I794-Y829 HydrophobicContact CG2-CE1 3.97Å; L796-Y829 HydrophobicContact CD2-CD2 4.4Å; L796-Y829 HydrophobicContact CD2-CE2 4.35Å; L802-Y829 HydrophobicContact CD2-CE1 3.76Å; C819-Y829 PolarHBondContact O-OH 2.81Å; F820-Y829 HydrophobicContact CD1-CD1 4.21Å; F820-Y829 AromaticContact CD1-CE1 3.68Å; F820-Y829 HydrophobicContact CD1-CE1 3.68Å; F820-Y829 HydrophobicContact CD1-CE2 4.43Å; F820-Y829 AromaticContact CD1-CZ 3.79Å; F820-Y829 AromaticContact CE1-CD1 3.8Å; F820-Y829 HydrophobicContact CE1-CD1 3.8Å; F820-Y829 AromaticContact CE1-CE1 3.64Å; F820-Y829 HydrophobicContact CE1-CE1 3.64Å; F820-Y829 HydrophobicContact CE1-CG 4.47Å; V823-Y829 HydrophobicContact CB-CE2 3.84Å; V823-Y829 HydrophobicContact CG1-CE2 3.81Å; V823-Y829 VanDerWaalsContact O-CE2 3.25Å; V823-Y829 WeakPolarHBondContact O-CE2 3.35Å; V823-Y829 PolarHBondContact O-OH 3.01Å; D825-Y829 WeakPolarHBondContact O-CD2 2.95Å; I826-Y829 PolarHBondContact O-N 3.11Å; S827-Y829 PolarHBondContact O-N 2.98Å; Y829-I850 HydrophobicContact CG-CD1 4.26Å
830	S	92.7	Very high	86.8	Confident	10 Å²	10	47.5 Å²	47.5	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.5	171.4	61.4	0	0	0	0	111.4	K795 K847 F848	K795-S830 PolarHBondContact N-O 2.8Å; K795-S830 PolarHBondContact O-N 2.84Å; K795-S830 PolarHBondContact O-OG 2.89Å; S830-K847 WeakPolarHBondContact OG-CE 3.46Å; S830-K847 PolarHBondContact OG-NZ 2.87Å; S830-F848 WeakPolarHBondContact CA-O 3.38Å
831	I	94.6	Very high	86.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	128.2	175.3	-55.5	-56.9	0	0	0	107.7	A792 I794 L813 V833 K847 F848 I850 I870 I872	A792-I831 HydrophobicContact CB-CG2 4.48Å; I794-I831 HydrophobicContact CG1-CD1 3.88Å; I794-I831 HydrophobicContact CG2-CD1 4.45Å; L813-I831 HydrophobicContact CD1-CG2 4.04Å; L813-I831 HydrophobicContact CD2-CG2 3.7Å; I831-V833 HydrophobicContact CG2-CG1 4.21Å; I831-K847 CarbonylContact O-C 3.57Å; I831-K847 VanDerWaalsContact O-CA 3.31Å; I831-K847 WeakPolarHBondContact O-CA 3.21Å; I831-F848 PolarHBondContact N-O 2.86Å; I831-F848 PolarHBondContact O-N 3.44Å; I831-I850 HydrophobicContact CD1-CD1 4.1Å; I831-I850 HydrophobicContact CD1-CG1 4.23Å; I831-I850 HydrophobicContact CG1-CD1 4.4Å; I831-I850 HydrophobicContact CG1-CG1 3.96Å; I831-I870 HydrophobicContact CD1-CD1 4.16Å; I831-I870 HydrophobicContact CD1-CG2 4.24Å; I831-I870 HydrophobicContact CG1-CG2 4.3Å; I831-I872 HydrophobicContact CB-CG2 4.21Å; I831-I872 HydrophobicContact CG1-CG2 4.03Å; I831-I872 HydrophobicContact CG2-CG2 4.45Å
832	V	94.6	Very high	86.5	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.4	172.3	-166.5	0	0	0	0	108.9	A792 A793 K795 D835 E845 K847	A792-V832 WeakPolarHBondContact CA-O 3.16Å; A793-V832 PolarHBondContact N-O 2.89Å; A793-V832 PolarHBondContact O-N 2.03Å; K795-V832 HydrophobicContact CD-CG2 3.91Å; K795-V832 HydrophobicContact CG-CG2 4.36Å; V832-D835 HydrophobicContact CG1-CB 3.95Å; V832-E845 HydrophobicContact CG1-CB 3.97Å; V832-E845 HydrophobicContact CG1-CG 4.28Å; V832-K847 HydrophobicContact CG2-CB 4.36Å; V832-K847 HydrophobicContact CG2-CD 4.35Å; V832-K847 HydrophobicContact CG2-CG 4.1Å
833	V	95.1	Very high	87	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	152.8	172.9	-57.4	0	0	0	0	109.9	A792 I807 L813 I831 D835 E845 Q846 F848 I880 V886	A792-V833 HydrophobicContact CB-CG1 3.86Å; I807-V833 HydrophobicContact CD1-CB 3.71Å; I807-V833 HydrophobicContact CD1-CG1 3.52Å; I807-V833 HydrophobicContact CG1-CG1 3.83Å; L813-V833 HydrophobicContact CD2-CG1 4.18Å; I831-V833 HydrophobicContact CG2-CG1 4.21Å; V833-D835 PolarHBondContact O-N 3.45Å; V833-E845 CarbonylContact O-C 3.58Å; V833-E845 VanDerWaalsContact O-CA 3.3Å; V833-E845 WeakPolarHBondContact O-CA 3.06Å; V833-Q846 HydrophobicContact CG2-CB 3.71Å; V833-Q846 HydrophobicContact CG2-CG 4.45Å; V833-Q846 PolarHBondContact N-O 3.14Å; V833-Q846 PolarHBondContact O-N 3.44Å; V833-F848 HydrophobicContact CG2-CE2 4.16Å; V833-I880 HydrophobicContact CG1-CD1 4.07Å; V833-I880 HydrophobicContact CG1-CG1 4.45Å; V833-I880 HydrophobicContact CG2-CG1 4.33Å; V833-I880 HydrophobicContact CG2-CG2 4.08Å; V833-V886 HydrophobicContact CB-CG1 4.12Å; V833-V886 HydrophobicContact CG2-CG1 3.89Å; V833-V886 HydrophobicContact CG2-CG2 4.42Å
834	G	92.9	Very high	87.6	Confident	5 Å²	5	45.8 Å²	45.8	5%	0.052	28%	0.282	C	S	.	.	S	Bend	trans	80.5	-12.9	-178.3	0	0	0	0	0	114.9	W836 T844 V886	G834-W836 PolarHBondContact O-N 3.19Å; G834-T844 PolarHBondContact O-OG1 2.86Å; G834-T844 VanDerWaalsContact O-OG1 3.1Å; G834-V886 VanDerWaalsContact CA-CG2 3.5Å
835	D	91.1	Very high	88.6	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.048	26%	0.257	C	S	.	.			trans	-52.4	132.9	172.3	-162	-28.3	0	0	0	110.6	K795 V832 V833 D837 T838 E845 W909	K795-D835 VanDerWaalsContact CE-OD2 3.28Å; K795-D835 WeakPolarHBondContact CE-OD2 3.05Å; K795-D835 IonicContact NZ-OD2 3.72Å; K795-D835 PolarHBondContact NZ-OD2 2.8Å; V832-D835 HydrophobicContact CG1-CB 3.95Å; V833-D835 PolarHBondContact O-N 3.45Å; D835-D837 PolarHBondContact OD1-N 3.48Å; D835-D837 VanDerWaalsContact OD1-N 3.09Å; D835-T838 PolarHBondContact OD1-N 2.96Å; D835-E845 HydrophobicContact CB-CG 4.25Å; D835-W909 HydrophobicContact CB-CH2 4.39Å; D835-W909 HydrophobicContact CB-CZ2 4.21Å; D835-W909 VanDerWaalsContact O-CZ2 3.25Å; D835-W909 WeakPolarHBondContact O-CZ2 3.26Å
836	W	89.3	Confident	89	Confident	48 Å²	48	40.8 Å²	40.8	18%	0.182	25%	0.246	C	C	.	.	S	Bend	trans	-122.4	-29.8	170.7	169.5	62.9	0	0	0	111.6	V783 H785 G834 R919 L920	V783-W836 PolarHBondContact O-NE1 3.46Å; H785-W836 HydrophobicContact CB-CB 4.47Å; H785-W836 HydrophobicContact CB-CD2 3.92Å; H785-W836 HydrophobicContact CB-CE3 4.32Å; H785-W836 HydrophobicContact CB-CG 3.96Å; H785-W836 VanDerWaalsContact CD2-CB 3.47Å; H785-W836 WeakPolarHBondContact CD2-CB 3.18Å; H785-W836 AromaticContact CD2-CG 3.91Å; G834-W836 PolarHBondContact O-N 3.19Å; W836-R919 VanDerWaalsContact CH2-CZ 3.41Å; W836-R919 HydrophobicContact CZ2-CG 4.33Å; W836-R919 CarbonylContact O-C 3.58Å; W836-R919 WeakPolarHBondContact O-CA 3.3Å; W836-L920 PolarHBondContact O-N 3.19Å
837	D	88	Confident	89.3	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.032	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-133.2	100.9	-175.1	-173.5	-45.4	0	0	0	108.9	D835 N839 V840 R918 R919	D835-D837 PolarHBondContact OD1-N 3.48Å; D835-D837 VanDerWaalsContact OD1-N 3.09Å; D837-N839 PolarHBondContact O-N 3.48Å; D837-N839 PolarHBondContact OD1-N 2.91Å; D837-V840 PolarHBondContact O-N 2.89Å; D837-V840 VanDerWaalsContact O-N 3.07Å; D837-V840 PolarHBondContact OD1-N 3.04Å; D837-R918 CarbonylContact C-O 3.56Å; D837-R918 WeakPolarHBondContact CA-O 3.05Å; D837-R918 WeakPolarHBondContact OD1-CG 3.44Å; D837-R918 IonicContact OD1-CZ 2.78Å; D837-R918 IonicContact OD1-NE 3.42Å; D837-R918 PolarHBondContact OD1-NE 3.12Å; D837-R918 IonicContact OD1-NH2 3.85Å; D837-R918 PolarHBondContact OD1-NH2 3.03Å; D837-R918 IonicContact OD2-CZ 3.24Å; D837-R918 VanDerWaalsContact OD2-CZ 3.24Å; D837-R918 IonicContact OD2-NE 3.13Å; D837-R918 PolarHBondContact OD2-NE 3.09Å; D837-R918 IonicContact OD2-NH2 2.75Å; D837-R918 PolarHBondContact OD2-NH2 3.02Å; D837-R919 HydrophobicContact CB-CG 4.13Å; D837-R919 IonicContact OD2-NE 2.98Å; D837-R919 PolarHBondContact OD2-NE 3.48Å
838	T	81.8	Confident	89.8	Confident	31 Å²	31	38.4 Å²	38.4	19%	0.19	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.6	-166.6	59.7	0	0	0	0	114.7	D835 W909 R918	D835-T838 PolarHBondContact OD1-N 2.96Å; T838-W909 HydrophobicContact CG2-CB 4.39Å; T838-W909 HydrophobicContact CG2-CD2 4.17Å; T838-W909 HydrophobicContact CG2-CG 3.78Å; T838-R918 PolarHBondContact N-O 3.16Å; T838-R918 PolarHBondContact OG1-O 2.63Å
839	N	78.4	Confident	89.9	Confident	112 Å²	112	38.7 Å²	38.7	60%	0.599	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-13.9	-173.9	-63.6	12.4	0	0	0	113.2	D837 R918	D837-N839 PolarHBondContact O-N 3.48Å; D837-N839 PolarHBondContact OD1-N 2.91Å; N839-R918 HydrophobicContact CB-CG 4.07Å
840	V	81.7	Confident	90	Very high	68 Å²	68	38.6 Å²	38.6	41%	0.412	23%	0.23	S	C	.	.	S	Bend	trans	-135.6	107.2	-176.9	174.1	0	0	0	0	109.3	D837 D842	D837-V840 PolarHBondContact O-N 2.89Å; D837-V840 VanDerWaalsContact O-N 3.07Å; D837-V840 PolarHBondContact OD1-N 3.04Å; V840-D842 PolarHBondContact O-N 3.12Å
841	P	83.1	Confident	90	Very high	108 Å²	108	41.4 Å²	41.4	70%	0.701	24%	0.242	S	C	*	.			trans	-65.5	127.6	173.1	28.1	-33.1	0	0	0	109.9	E845	P841-E845 VanDerWaalsContact CA-OE1 3.28Å; P841-E845 WeakPolarHBondContact CA-OE1 3.43Å
842	D	86.6	Confident	89.8	Confident	66 Å²	66	44.7 Å²	44.7	35%	0.353	26%	0.255	S	S	.	.			trans	-101.2	-3.2	177.9	68.1	30.5	0	0	0	113.7	H785 V840 T844 E845	H785-D842 IonicContact CE1-OD1 3.69Å; H785-D842 IonicContact CE1-OD2 2.93Å; H785-D842 PolarHBondContact CE1-OD2 3.36Å; H785-D842 IonicContact ND1-OD2 3.86Å; H785-D842 IonicContact NE2-OD1 3.88Å; H785-D842 IonicContact NE2-OD2 3.16Å; H785-D842 PolarHBondContact NE2-OD2 2.03Å; H785-D842 VanDerWaalsContact NE2-OD2 3.16Å; V840-D842 PolarHBondContact O-N 3.12Å; D842-T844 VanDerWaalsContact OD1-CB 3.22Å; D842-T844 WeakPolarHBondContact OD1-CB 3.43Å; D842-T844 VanDerWaalsContact OD1-CG2 3.23Å; D842-T844 WeakPolarHBondContact OD1-CG2 3.13Å; D842-T844 PolarHBondContact OD1-N 2.73Å; D842-T844 PolarHBondContact OD1-OG1 3.1Å; D842-E845 PolarHBondContact N-OE1 2.59Å; D842-E845 PolarHBondContact N-OE2 3.17Å; D842-E845 VanDerWaalsContact N-OE2 3.15Å
843	G	88.1	Confident	89.7	Confident	72 Å²	72	45.8 Å²	45.8	74%	0.742	26%	0.262	S	S	*	.	S	Bend	trans	92.4	3.1	178.9	0	0	0	0	0	113.7	E845	G843-E845 PolarHBondContact N-OE2 3.39Å
844	T	91.8	Very high	89.6	Confident	25 Å²	25	46.8 Å²	46.8	15%	0.153	27%	0.269	C	S	.	.			trans	-92.9	-10.6	171.9	67.9	0	0	0	0	113	H785 G834 D842 F885	H785-T844 PolarHBondContact NE2-OG1 2.85Å; G834-T844 PolarHBondContact O-OG1 2.86Å; G834-T844 VanDerWaalsContact O-OG1 3.1Å; D842-T844 VanDerWaalsContact OD1-CB 3.22Å; D842-T844 WeakPolarHBondContact OD1-CB 3.43Å; D842-T844 VanDerWaalsContact OD1-CG2 3.23Å; D842-T844 WeakPolarHBondContact OD1-CG2 3.13Å; D842-T844 PolarHBondContact OD1-N 2.73Å; D842-T844 PolarHBondContact OD1-OG1 3.1Å; T844-F885 HydrophobicContact CG2-CD2 3.25Å; T844-F885 HydrophobicContact CG2-CE2 3.35Å; T844-F885 HydrophobicContact CG2-CG 3.94Å; T844-F885 HydrophobicContact CG2-CZ 4.13Å
845	E	92.9	Very high	89.6	Confident	45 Å²	45	50 Å²	50	21%	0.21	28%	0.284	C	S	.	.			trans	-74.1	136.6	-176.7	-55.8	81.5	-178.6	0	0	113.1	V832 V833 D835 P841 D842 G843	V832-E845 HydrophobicContact CG1-CB 3.97Å; V832-E845 HydrophobicContact CG1-CG 4.28Å; V833-E845 CarbonylContact O-C 3.58Å; V833-E845 VanDerWaalsContact O-CA 3.3Å; V833-E845 WeakPolarHBondContact O-CA 3.06Å; D835-E845 HydrophobicContact CB-CG 4.25Å; P841-E845 VanDerWaalsContact CA-OE1 3.28Å; P841-E845 WeakPolarHBondContact CA-OE1 3.43Å; D842-E845 PolarHBondContact N-OE1 2.59Å; D842-E845 PolarHBondContact N-OE2 3.17Å; D842-E845 VanDerWaalsContact N-OE2 3.15Å; G843-E845 PolarHBondContact N-OE2 3.39Å
846	Q	93.7	Very high	89.7	Confident	41 Å²	41	50.1 Å²	50.1	19%	0.192	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	113.8	167.4	-57.8	163	50.7	0	0	108.8	V833 F848 V881	V833-Q846 HydrophobicContact CG2-CB 3.71Å; V833-Q846 HydrophobicContact CG2-CG 4.45Å; V833-Q846 PolarHBondContact N-O 3.14Å; V833-Q846 PolarHBondContact O-N 3.44Å; Q846-F848 HydrophobicContact CB-CD2 4.32Å; Q846-F848 HydrophobicContact CB-CE2 3.49Å; Q846-F848 VanDerWaalsContact CB-CE2 3.49Å; Q846-F848 HydrophobicContact CB-CZ 4.02Å; Q846-V881 PolarHBondContact NE2-O 3.22Å
847	K	93.2	Very high	89.5	Confident	84 Å²	84	52.8 Å²	52.8	37%	0.365	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128	178.1	-173.8	167.4	-171.3	175.1	0	110.2	N799 S830 I831 V832 K875	N799-K847 PolarHBondContact OD1-NZ 3.15Å; S830-K847 WeakPolarHBondContact OG-CE 3.46Å; S830-K847 PolarHBondContact OG-NZ 2.87Å; I831-K847 CarbonylContact O-C 3.57Å; I831-K847 VanDerWaalsContact O-CA 3.31Å; I831-K847 WeakPolarHBondContact O-CA 3.21Å; V832-K847 HydrophobicContact CG2-CB 4.36Å; V832-K847 HydrophobicContact CG2-CD 4.35Å; V832-K847 HydrophobicContact CG2-CG 4.1Å; K847-K875 WeakPolarHBondContact O-CE 3.39Å; K847-K875 PolarHBondContact O-NZ 2.91Å
848	F	94.8	Very high	89	Confident	8 Å²	8	54.4 Å²	54.4	4%	0.035	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.6	178.2	-62.6	-87.8	0	0	0	111.4	S830 I831 V833 Q846 I872 K875 G879 I880	S830-F848 WeakPolarHBondContact CA-O 3.38Å; I831-F848 PolarHBondContact N-O 2.86Å; I831-F848 PolarHBondContact O-N 3.44Å; V833-F848 HydrophobicContact CG2-CE2 4.16Å; Q846-F848 HydrophobicContact CB-CD2 4.32Å; Q846-F848 HydrophobicContact CB-CE2 3.49Å; Q846-F848 VanDerWaalsContact CB-CE2 3.49Å; Q846-F848 HydrophobicContact CB-CZ 4.02Å; F848-I872 HydrophobicContact CB-CB 3.94Å; F848-I872 HydrophobicContact CB-CD1 4.23Å; F848-I872 HydrophobicContact CB-CG2 3.85Å; F848-I872 HydrophobicContact CD1-CD1 3.54Å; F848-I872 HydrophobicContact CD2-CD1 4.01Å; F848-I872 HydrophobicContact CE1-CD1 3.8Å; F848-I872 HydrophobicContact CE2-CD1 4.23Å; F848-I872 HydrophobicContact CG-CB 4.33Å; F848-I872 HydrophobicContact CG-CD1 3.67Å; F848-I872 HydrophobicContact CG-CG2 4.44Å; F848-I872 HydrophobicContact CZ-CD1 4.14Å; F848-K875 HydrophobicContact CD1-CD 4.12Å; F848-K875 HydrophobicContact CD1-CG 4.12Å; F848-K875 HydrophobicContact CE1-CB 4.37Å; F848-K875 HydrophobicContact CE1-CD 4.25Å; F848-K875 HydrophobicContact CE1-CG 4.26Å; F848-G879 WeakPolarHBondContact CZ-O 3.4Å; F848-I880 HydrophobicContact CD2-CG1 4.34Å; F848-I880 HydrophobicContact CE2-CB 4.5Å; F848-I880 HydrophobicContact CE2-CG1 3.77Å; F848-I880 HydrophobicContact CZ-CG1 4.2Å
849	S	92.5	Very high	89.2	Confident	62 Å²	62	54.8 Å²	54.8	43%	0.434	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	154.1	167.3	-59.6	0	0	0	0	109.7	K873	S849-K873 PolarHBondContact O-N 2.61Å
850	I	93.8	Very high	89.2	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.1	177.2	-61.2	-177	0	0	0	110.5	F820 Y829 I831 Y852 V853 I870 K873	F820-I850 HydrophobicContact CE1-CD1 4.05Å; Y829-I850 HydrophobicContact CG-CD1 4.26Å; I831-I850 HydrophobicContact CD1-CD1 4.1Å; I831-I850 HydrophobicContact CD1-CG1 4.23Å; I831-I850 HydrophobicContact CG1-CD1 4.4Å; I831-I850 HydrophobicContact CG1-CG1 3.96Å; I850-Y852 WeakPolarHBondContact CG2-O 3.04Å; I850-V853 HydrophobicContact CD1-CG2 4.09Å; I850-V853 HydrophobicContact CG2-CG2 3.76Å; I850-I870 HydrophobicContact CD1-CG2 3.95Å; I850-I870 HydrophobicContact CG1-CG2 3.92Å; I850-I870 HydrophobicContact CG2-CG2 4.09Å; I850-K873 WeakPolarHBondContact O-CD 3.21Å; I850-K873 WeakPolarHBondContact O-CE 3.06Å; I850-K873 PolarHBondContact O-NZ 3.34Å
851	E	91.7	Very high	89.3	Confident	69 Å²	69	55.1 Å²	55.1	32%	0.322	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-55.3	169.4	-170	-179.5	137.9	0	0	109.7	K871 K873	E851-K871 HydrophobicContact CB-CB 4.3Å; E851-K871 HydrophobicContact CB-CD 4.5Å; E851-K871 HydrophobicContact CB-CG 4.2Å; E851-K871 PolarHBondContact N-O 3.32Å; E851-K871 WeakPolarHBondContact OE1-CE 3.24Å; E851-K871 IonicContact OE1-NZ 2.7Å; E851-K871 PolarHBondContact OE1-NZ 2.75Å; E851-K871 VanDerWaalsContact OE2-CE 3.29Å; E851-K871 WeakPolarHBondContact OE2-CE 3.08Å; E851-K871 IonicContact OE2-NZ 2.91Å; E851-K873 HydrophobicContact CB-CG 3.79Å; E851-K873 HydrophobicContact CG-CG 4.28Å
852	Y	91.3	Very high	89.4	Confident	68 Å²	68	53.1 Å²	53.1	27%	0.267	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	164.6	167.9	58.6	-102.5	0	0	0	111	I850 S854 K871	I850-Y852 WeakPolarHBondContact CG2-O 3.04Å; Y852-S854 WeakPolarHBondContact CE2-OG 3.02Å; Y852-K871 HydrophobicContact CD1-CB 4.26Å; Y852-K871 HydrophobicContact CD1-CD 4.15Å; Y852-K871 HydrophobicContact CD2-CB 4.22Å; Y852-K871 HydrophobicContact CE1-CB 3.99Å; Y852-K871 HydrophobicContact CE1-CD 3.34Å; Y852-K871 HydrophobicContact CE1-CG 4.3Å; Y852-K871 HydrophobicContact CE2-CB 3.92Å; Y852-K871 HydrophobicContact CE2-CD 4.43Å; Y852-K871 HydrophobicContact CG-CB 4.38Å; Y852-K871 VanDerWaalsContact CZ-CD 3.5Å; Y852-K871 PolarHBondContact O-N 2.82Å; Y852-K871 WeakPolarHBondContact OH-CD 3.33Å
853	V	93.2	Very high	89.2	Confident	32 Å²	32	52.8 Å²	52.8	19%	0.194	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.4	167.3	-173	0	0	0	0	108.1	F820 I826 I850 L855 A868 V869 I870	F820-V853 HydrophobicContact CD1-CG1 4.37Å; F820-V853 HydrophobicContact CD1-CG2 3.98Å; F820-V853 HydrophobicContact CD2-CG1 3.84Å; F820-V853 HydrophobicContact CE1-CG1 4.4Å; F820-V853 HydrophobicContact CE1-CG2 3.76Å; F820-V853 HydrophobicContact CE2-CG1 3.87Å; F820-V853 HydrophobicContact CG-CG1 4.09Å; F820-V853 HydrophobicContact CZ-CG1 4.16Å; F820-V853 HydrophobicContact CZ-CG2 4.1Å; I826-V853 HydrophobicContact CG2-CG2 4.08Å; I850-V853 HydrophobicContact CD1-CG2 4.09Å; I850-V853 HydrophobicContact CG2-CG2 3.76Å; V853-L855 HydrophobicContact CG1-CD2 3.95Å; V853-A868 HydrophobicContact CG1-CB 4.01Å; V853-V869 WeakPolarHBondContact CA-O 3.41Å; V853-I870 HydrophobicContact CG1-CG1 4.38Å
854	S	93.1	Very high	89	Confident	21 Å²	21	52.4 Å²	52.4	15%	0.147	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.2	171.2	-62.4	0	0	0	0	108.8	Y852 A868 V869 W1006 Q1010	Y852-S854 WeakPolarHBondContact CE2-OG 3.02Å; S854-A868 CarbonylContact O-C 3.51Å; S854-A868 WeakPolarHBondContact O-CA 3.18Å; S854-V869 PolarHBondContact N-O 2.96Å; S854-V869 PolarHBondContact O-N 3.27Å; S854-W1006 WeakPolarHBondContact O-CH2 3.49Å; S854-W1006 WeakPolarHBondContact O-CZ2 3.2Å; S854-Q1010 PolarHBondContact OG-OE1 2.84Å
855	L	92.7	Very high	88.9	Confident	71 Å²	71	52.1 Å²	52.1	37%	0.372	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	147.6	166.4	-52.6	-174.2	0	0	0	109.1	A817 F820 V853 Y859 A868	A817-L855 HydrophobicContact CB-CD2 3.92Å; F820-L855 HydrophobicContact CD2-CD2 4.36Å; V853-L855 HydrophobicContact CG1-CD2 3.95Å; L855-Y859 HydrophobicContact CD1-CD1 4.49Å; L855-A868 HydrophobicContact CD2-CB 3.67Å
856	V	92.9	Very high	89	Confident	13 Å²	13	50 Å²	50	8%	0.079	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-67.8	136.7	177.9	67.6	0	0	0	0	111.2	G858 Y859 D865 I867 Y1003 W1006	V856-G858 PolarHBondContact O-N 3.16Å; V856-Y859 WeakPolarHBondContact O-CB 2.99Å; V856-Y859 PolarHBondContact O-N 3.25Å; V856-D865 HydrophobicContact CG1-CB 3.77Å; V856-D865 WeakPolarHBondContact CG1-O 3.38Å; V856-I867 HydrophobicContact CB-CG2 3.97Å; V856-I867 HydrophobicContact CG1-CG2 3.71Å; V856-I867 PolarHBondContact N-O 2.91Å; V856-Y1003 HydrophobicContact CG1-CE1 4.35Å; V856-Y1003 HydrophobicContact CG2-CD1 3.87Å; V856-Y1003 HydrophobicContact CG2-CE1 3.98Å; V856-W1006 HydrophobicContact CB-CD2 4.19Å; V856-W1006 HydrophobicContact CB-CE3 4.13Å; V856-W1006 HydrophobicContact CB-CH2 3.93Å; V856-W1006 HydrophobicContact CB-CZ2 4.01Å; V856-W1006 HydrophobicContact CB-CZ3 4Å; V856-W1006 HydrophobicContact CG2-CD2 3.92Å; V856-W1006 HydrophobicContact CG2-CE3 4.07Å; V856-W1006 HydrophobicContact CG2-CG 4.29Å; V856-W1006 HydrophobicContact CG2-CZ3 4.45Å
857	P	83.8	Confident	89.1	Confident	103 Å²	103	48 Å²	48	67%	0.669	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	123.9	171.8	-22.5	33.5	0	0	0	110.8
858	G	78.3	Confident	89.3	Confident	41 Å²	41	44 Å²	44	42%	0.423	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	-9	-176.6	0	0	0	0	0	114.7	V856 E860	V856-G858 PolarHBondContact O-N 3.16Å; G858-E860 PolarHBondContact O-N 3.49Å
859	Y	86.8	Confident	89.4	Confident	38 Å²	38	43.7 Å²	43.7	15%	0.149	24%	0.239	C	C	.	.			trans	-58.2	120.6	170.2	-178.9	-109.2	0	0	0	111.5	A817 H818 E821 L855 V856 N861 I862 K864 D865 D866	A817-Y859 HydrophobicContact CB-CD1 3.81Å; A817-Y859 HydrophobicContact CB-CD2 3.64Å; A817-Y859 HydrophobicContact CB-CE1 3.79Å; A817-Y859 HydrophobicContact CB-CE2 3.6Å; A817-Y859 HydrophobicContact CB-CG 3.74Å; H818-Y859 WeakPolarHBondContact CB-OH 3.48Å; E821-Y859 HydrophobicContact CG-CE1 3.98Å; E821-Y859 WeakPolarHBondContact OE1-CE1 3.38Å; E821-Y859 VanDerWaalsContact OE1-CZ 3.24Å; E821-Y859 PolarHBondContact OE1-OH 3.46Å; E821-Y859 PolarHBondContact OE2-OH 2.94Å; L855-Y859 HydrophobicContact CD1-CD1 4.49Å; V856-Y859 WeakPolarHBondContact O-CB 2.99Å; V856-Y859 PolarHBondContact O-N 3.25Å; Y859-N861 VanDerWaalsContact CE2-C 3.43Å; Y859-N861 WeakPolarHBondContact CE2-O 3.29Å; Y859-I862 PolarHBondContact OH-N 2.77Å; Y859-K864 VanDerWaalsContact CD2-O 3.3Å; Y859-K864 WeakPolarHBondContact CD2-O 3.36Å; Y859-D865 WeakPolarHBondContact CD2-O 3.31Å; Y859-D866 HydrophobicContact CD2-CB 4.44Å; Y859-D866 HydrophobicContact CE2-CB 3.93Å
860	E	77.1	Confident	89.6	Confident	129 Å²	129	40.7 Å²	40.7	60%	0.603	22%	0.218	S	C	*	.			trans	-115.2	-33.6	-179	-75.5	170.9	-138.6	0	0	112.9	G858 K864	G858-E860 PolarHBondContact O-N 3.49Å; E860-K864 IonicContact OE1-NZ 3.49Å; E860-K864 PolarHBondContact OE1-NZ 3Å
861	N	84.4	Confident	89.6	Confident	58 Å²	58	42.7 Å²	42.7	31%	0.31	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-179.6	172.2	-179.6	58.5	85.9	0	0	0	109.2	Y859 L863 K864	Y859-N861 VanDerWaalsContact CE2-C 3.43Å; Y859-N861 WeakPolarHBondContact CE2-O 3.29Å; N861-L863 PolarHBondContact O-N 3.36Å; N861-L863 VanDerWaalsContact OD1-CB 3.3Å; N861-L863 WeakPolarHBondContact OD1-CB 3.24Å; N861-L863 WeakPolarHBondContact OD1-CG 3.31Å; N861-L863 PolarHBondContact OD1-N 3.4Å; N861-K864 PolarHBondContact O-N 3.42Å
862	I	84.4	Confident	89.8	Confident	67 Å²	67	39.4 Å²	39.4	34%	0.344	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	-25.5	178.6	56.7	167.1	0	0	0	117.4	H818 Y859 S983 W984	H818-I862 HydrophobicContact CB-CG2 3.41Å; H818-I862 VanDerWaalsContact CB-CG2 3.41Å; Y859-I862 PolarHBondContact OH-N 2.77Å; I862-S983 PolarHBondContact O-OG 3.05Å; I862-W984 HydrophobicContact CB-CB 4.48Å; I862-W984 HydrophobicContact CD1-CB 4.24Å
863	L	83.2	Confident	89.9	Confident	58 Å²	58	41.3 Å²	41.3	30%	0.304	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-17.3	-176.8	-55.5	179.8	0	0	0	113.5	N861 T944 W984	N861-L863 PolarHBondContact O-N 3.36Å; N861-L863 VanDerWaalsContact OD1-CB 3.3Å; N861-L863 WeakPolarHBondContact OD1-CB 3.24Å; N861-L863 WeakPolarHBondContact OD1-CG 3.31Å; N861-L863 PolarHBondContact OD1-N 3.4Å; L863-T944 WeakPolarHBondContact O-CG2 3.09Å; L863-T944 PolarHBondContact O-OG1 2.9Å; L863-W984 HydrophobicContact CD2-CD2 3.78Å; L863-W984 VanDerWaalsContact CD2-CE2 3.48Å; L863-W984 HydrophobicContact CD2-CE3 4.14Å; L863-W984 HydrophobicContact CD2-CG 4.34Å; L863-W984 HydrophobicContact CD2-CH2 4.01Å; L863-W984 HydrophobicContact CD2-CZ2 3.62Å; L863-W984 HydrophobicContact CD2-CZ3 4.25Å
864	K	84.4	Confident	89.7	Confident	65 Å²	65	42.7 Å²	42.7	28%	0.283	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-141.4	128.1	-169.2	178.8	-179.3	164	-167.9	0	110.6	Y859 E860 N861 D866 T944	Y859-K864 VanDerWaalsContact CD2-O 3.3Å; Y859-K864 WeakPolarHBondContact CD2-O 3.36Å; E860-K864 IonicContact OE1-NZ 3.49Å; E860-K864 PolarHBondContact OE1-NZ 3Å; N861-K864 PolarHBondContact O-N 3.42Å; K864-D866 PolarHBondContact O-N 2.94Å; K864-T944 HydrophobicContact CB-CG2 4.08Å; K864-T944 HydrophobicContact CG-CG2 4.34Å
865	D	89.2	Confident	89.3	Confident	18 Å²	18	46.7 Å²	46.7	10%	0.096	25%	0.245	C	C	.	.			trans	56.2	33.2	171	-44.4	-17.9	0	0	0	114.2	V856 Y859 I867 H946 Y1003	V856-D865 HydrophobicContact CG1-CB 3.77Å; V856-D865 WeakPolarHBondContact CG1-O 3.38Å; Y859-D865 WeakPolarHBondContact CD2-O 3.31Å; D865-I867 VanDerWaalsContact C-N 3.33Å; D865-I867 PolarHBondContact O-N 3.05Å; D865-H946 IonicContact OD1-CD2 3.56Å; D865-Y1003 WeakPolarHBondContact CA-OH 3.46Å; D865-Y1003 HydrophobicContact CB-CE1 4.4Å; D865-Y1003 PolarHBondContact OD1-OH 3.29Å
866	D	94.4	Very high	88.7	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.27	C	S	.	.			trans	-75.9	76.8	-176	-176.6	29.4	0	0	0	112.3	A817 H818 Y859 K864 S983 T998	A817-D866 WeakPolarHBondContact CA-OD1 3.4Å; A817-D866 PolarHBondContact N-OD1 2.81Å; H818-D866 IonicContact CE1-OD2 3.14Å; H818-D866 PolarHBondContact CE1-OD2 3.44Å; H818-D866 IonicContact CG-OD1 3.88Å; H818-D866 IonicContact CG-OD2 2.82Å; H818-D866 PolarHBondContact N-OD1 3.4Å; H818-D866 IonicContact ND1-OD1 3.08Å; H818-D866 PolarHBondContact ND1-OD1 3.06Å; H818-D866 IonicContact ND1-OD2 3.44Å; H818-D866 PolarHBondContact ND1-OD2 2.99Å; Y859-D866 HydrophobicContact CD2-CB 4.44Å; Y859-D866 HydrophobicContact CE2-CB 3.93Å; K864-D866 PolarHBondContact O-N 2.94Å; D866-S983 WeakPolarHBondContact CB-OG 3.39Å; D866-S983 WeakPolarHBondContact OD2-CA 3.48Å; D866-S983 VanDerWaalsContact OD2-CB 3.29Å; D866-S983 WeakPolarHBondContact OD2-CB 3.43Å; D866-S983 PolarHBondContact OD2-OG 2.92Å; D866-T998 WeakPolarHBondContact O-CB 3.15Å; D866-T998 PolarHBondContact O-OG1 2.82Å
867	I	96.2	Very high	87.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.			trans	-148.8	141.9	177.9	-170.2	167	0	0	0	112.1	I814 V856 D865 V981 T998 V1000 Y1003 W1006 I1007	I814-I867 HydrophobicContact CG2-CD1 3.95Å; I814-I867 HydrophobicContact CG2-CG1 3.89Å; V856-I867 HydrophobicContact CB-CG2 3.97Å; V856-I867 HydrophobicContact CG1-CG2 3.71Å; V856-I867 PolarHBondContact N-O 2.91Å; D865-I867 VanDerWaalsContact C-N 3.33Å; D865-I867 PolarHBondContact O-N 3.05Å; I867-V981 HydrophobicContact CD1-CG2 4.17Å; I867-V981 HydrophobicContact CG1-CG2 4.32Å; I867-T998 HydrophobicContact CB-CG2 4.01Å; I867-T998 HydrophobicContact CG2-CG2 4.29Å; I867-V1000 HydrophobicContact CD1-CG2 4.27Å; I867-Y1003 HydrophobicContact CD1-CD2 4.27Å; I867-Y1003 HydrophobicContact CD1-CG 4.36Å; I867-Y1003 HydrophobicContact CG2-CD1 3.86Å; I867-Y1003 HydrophobicContact CG2-CD2 4.17Å; I867-Y1003 HydrophobicContact CG2-CE1 4Å; I867-Y1003 HydrophobicContact CG2-CE2 4.33Å; I867-Y1003 HydrophobicContact CG2-CG 3.95Å; I867-W1006 HydrophobicContact CG1-CZ3 4.42Å; I867-W1006 HydrophobicContact CG2-CZ3 4.12Å; I867-I1007 HydrophobicContact CD1-CD1 4.1Å
868	A	96.5	Very high	87.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.2	179.8	0	0	0	0	0	111.8	I814 S815 F820 V853 S854 L855	I814-A868 WeakPolarHBondContact CA-O 3.44Å; S815-A868 PolarHBondContact N-O 2.64Å; S815-A868 PolarHBondContact O-N 3.36Å; F820-A868 HydrophobicContact CD2-CB 4.29Å; F820-A868 HydrophobicContact CE2-CB 4.19Å; V853-A868 HydrophobicContact CG1-CB 4.01Å; S854-A868 CarbonylContact O-C 3.51Å; S854-A868 WeakPolarHBondContact O-CA 3.18Å; L855-A868 HydrophobicContact CD2-CB 3.67Å
869	V	97.2	Very high	88.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.7	167.8	178.7	0	0	0	0	108.8	L813 I814 V853 S854 W1006 I1007 Q1010	L813-V869 WeakPolarHBondContact O-CA 3.37Å; I814-V869 HydrophobicContact CG1-CG2 4.43Å; V853-V869 WeakPolarHBondContact CA-O 3.41Å; S854-V869 PolarHBondContact N-O 2.96Å; S854-V869 PolarHBondContact O-N 3.27Å; V869-W1006 HydrophobicContact CB-CH2 4.34Å; V869-W1006 HydrophobicContact CG2-CH2 3.79Å; V869-W1006 HydrophobicContact CG2-CZ3 3.78Å; V869-I1007 HydrophobicContact CG2-CG1 4.43Å; V869-Q1010 HydrophobicContact CB-CB 4Å; V869-Q1010 HydrophobicContact CB-CG 4.26Å; V869-Q1010 HydrophobicContact CG1-CB 3.82Å; V869-Q1010 HydrophobicContact CG2-CB 4.04Å; V869-Q1010 HydrophobicContact CG2-CG 4.19Å
870	I	96.7	Very high	88.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.1	-179.4	-54.3	161.9	0	0	0	107.8	I794 A805 H812 L813 F820 I831 I850 V853	I794-I870 HydrophobicContact CD1-CD1 3.86Å; A805-I870 HydrophobicContact CB-CD1 4.37Å; H812-I870 VanDerWaalsContact CA-O 3.32Å; H812-I870 WeakPolarHBondContact CA-O 3.26Å; L813-I870 HydrophobicContact CB-CB 4.45Å; L813-I870 PolarHBondContact N-O 3.27Å; L813-I870 PolarHBondContact O-N 2.77Å; F820-I870 HydrophobicContact CE2-CD1 4.17Å; F820-I870 HydrophobicContact CE2-CG1 4.25Å; F820-I870 HydrophobicContact CZ-CD1 3.67Å; F820-I870 HydrophobicContact CZ-CG1 3.88Å; I831-I870 HydrophobicContact CD1-CD1 4.16Å; I831-I870 HydrophobicContact CD1-CG2 4.24Å; I831-I870 HydrophobicContact CG1-CG2 4.3Å; I850-I870 HydrophobicContact CD1-CG2 3.95Å; I850-I870 HydrophobicContact CG1-CG2 3.92Å; I850-I870 HydrophobicContact CG2-CG2 4.09Å; V853-I870 HydrophobicContact CG1-CG1 4.38Å
871	K	95.2	Very high	89.5	Confident	45 Å²	45	50.4 Å²	50.4	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.2	166.4	-171.2	176.2	-178.7	-163.2	0	110.2	Y811 H812 E851 Y852	Y811-K871 WeakPolarHBondContact O-CA 3.47Å; H812-K871 WeakPolarHBondContact NE2-CG 3.19Å; E851-K871 HydrophobicContact CB-CB 4.3Å; E851-K871 HydrophobicContact CB-CD 4.5Å; E851-K871 HydrophobicContact CB-CG 4.2Å; E851-K871 PolarHBondContact N-O 3.32Å; E851-K871 WeakPolarHBondContact OE1-CE 3.24Å; E851-K871 IonicContact OE1-NZ 2.7Å; E851-K871 PolarHBondContact OE1-NZ 2.75Å; E851-K871 VanDerWaalsContact OE2-CE 3.29Å; E851-K871 WeakPolarHBondContact OE2-CE 3.08Å; E851-K871 IonicContact OE2-NZ 2.91Å; Y852-K871 HydrophobicContact CD1-CB 4.26Å; Y852-K871 HydrophobicContact CD1-CD 4.15Å; Y852-K871 HydrophobicContact CD2-CB 4.22Å; Y852-K871 HydrophobicContact CE1-CB 3.99Å; Y852-K871 HydrophobicContact CE1-CD 3.34Å; Y852-K871 HydrophobicContact CE1-CG 4.3Å; Y852-K871 HydrophobicContact CE2-CB 3.92Å; Y852-K871 HydrophobicContact CE2-CD 4.43Å; Y852-K871 HydrophobicContact CG-CB 4.38Å; Y852-K871 VanDerWaalsContact CZ-CD 3.5Å; Y852-K871 PolarHBondContact O-N 2.82Å; Y852-K871 WeakPolarHBondContact OH-CD 3.33Å
872	I	95.2	Very high	89.8	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.9	176.8	53.5	144.6	0	0	0	112.2	Y811 L813 I831 F848 I880	Y811-I872 VanDerWaalsContact O-CG1 3.26Å; Y811-I872 WeakPolarHBondContact O-CG1 3.49Å; Y811-I872 PolarHBondContact O-N 2.66Å; L813-I872 HydrophobicContact CD1-CG2 3.72Å; I831-I872 HydrophobicContact CB-CG2 4.21Å; I831-I872 HydrophobicContact CG1-CG2 4.03Å; I831-I872 HydrophobicContact CG2-CG2 4.45Å; F848-I872 HydrophobicContact CB-CB 3.94Å; F848-I872 HydrophobicContact CB-CD1 4.23Å; F848-I872 HydrophobicContact CB-CG2 3.85Å; F848-I872 HydrophobicContact CD1-CD1 3.54Å; F848-I872 HydrophobicContact CD2-CD1 4.01Å; F848-I872 HydrophobicContact CE1-CD1 3.8Å; F848-I872 HydrophobicContact CE2-CD1 4.23Å; F848-I872 HydrophobicContact CG-CB 4.33Å; F848-I872 HydrophobicContact CG-CD1 3.67Å; F848-I872 HydrophobicContact CG-CG2 4.44Å; F848-I872 HydrophobicContact CZ-CD1 4.14Å; I872-I880 HydrophobicContact CD1-CD1 4.34Å; I872-I880 HydrophobicContact CD1-CG1 3.79Å
873	K	92.8	Very high	90.1	Very high	107 Å²	107	50 Å²	50	47%	0.465	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-66.4	127.9	170.5	-73.6	176	177.4	162.5	0	109.7	S849 I850 E851	S849-K873 PolarHBondContact O-N 2.61Å; I850-K873 WeakPolarHBondContact O-CD 3.21Å; I850-K873 WeakPolarHBondContact O-CE 3.06Å; I850-K873 PolarHBondContact O-NZ 3.34Å; E851-K873 HydrophobicContact CB-CG 3.79Å; E851-K873 HydrophobicContact CG-CG 4.28Å
874	P	88.8	Confident	90.3	Very high	62 Å²	62	53.3 Å²	53.3	40%	0.403	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-58	144.1	174	-22.9	32.4	0	0	0	112	Y811 S878	Y811-P874 HydrophobicContact CD1-CG 4.35Å; Y811-P874 HydrophobicContact CE1-CB 4.15Å; Y811-P874 HydrophobicContact CE1-CG 3.87Å; P874-S878 CarbonylContact C-O 3.57Å; P874-S878 WeakPolarHBondContact CA-O 3.42Å
875	K	85	Confident	90.6	Very high	105 Å²	105	52.1 Å²	52.1	46%	0.457	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-109	121	169.3	-76.6	-173.2	161.8	-171.9	0	108.5	K847 F848 N877 S878	K847-K875 WeakPolarHBondContact O-CE 3.39Å; K847-K875 PolarHBondContact O-NZ 2.91Å; F848-K875 HydrophobicContact CD1-CD 4.12Å; F848-K875 HydrophobicContact CD1-CG 4.12Å; F848-K875 HydrophobicContact CE1-CB 4.37Å; F848-K875 HydrophobicContact CE1-CD 4.25Å; F848-K875 HydrophobicContact CE1-CG 4.26Å; K875-N877 VanDerWaalsContact C-N 3.26Å; K875-N877 PolarHBondContact O-N 3.27Å; K875-S878 PolarHBondContact N-O 3.11Å; K875-S878 PolarHBondContact O-N 2.99Å; K875-S878 PolarHBondContact O-OG 3.2Å
876	N	80.5	Confident	90.9	Very high	166 Å²	166	51.2 Å²	51.2	89%	0.888	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	43.6	-178.6	-56.1	-14.6	0	0	0	113.1	S878	N876-S878 PolarHBondContact O-N 2.84Å; N876-S878 VanDerWaalsContact O-N 3.17Å
877	N	74.7	Confident	90.9	Very high	156 Å²	156	52.1 Å²	52.1	83%	0.834	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	13.5	-173.8	-63.6	-5.1	0	0	0	116	K875	K875-N877 VanDerWaalsContact C-N 3.26Å; K875-N877 PolarHBondContact O-N 3.27Å
878	S	83.2	Confident	90.9	Very high	51 Å²	51	52.2 Å²	52.2	36%	0.357	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-110.9	146.2	169.7	64.9	0	0	0	0	112.3	P874 K875 N876	P874-S878 CarbonylContact C-O 3.57Å; P874-S878 WeakPolarHBondContact CA-O 3.42Å; K875-S878 PolarHBondContact N-O 3.11Å; K875-S878 PolarHBondContact O-N 2.99Å; K875-S878 PolarHBondContact O-OG 3.2Å; N876-S878 PolarHBondContact O-N 2.84Å; N876-S878 VanDerWaalsContact O-N 3.17Å
879	G	90.7	Very high	90.9	Very high	6 Å²	6	52.3 Å²	52.3	6%	0.062	27%	0.271	C	S	.	.			trans	-87.7	-149.1	167.6	0	0	0	0	0	111.7	N810 Y811 F848 V881	N810-G879 CarbonylContact O-C 3.59Å; N810-G879 WeakPolarHBondContact O-CA 3.49Å; Y811-G879 PolarHBondContact OH-N 2.66Å; F848-G879 WeakPolarHBondContact CZ-O 3.4Å; G879-V881 PolarHBondContact O-N 2.77Å
880	I	94	Very high	90.9	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.036	27%	0.272	C	S	.	.			trans	-60	123.2	170.2	-63.5	164	0	0	0	109.5	I807 N810 L813 V833 F848 I872 F882 V886	I807-I880 HydrophobicContact CG1-CD1 4.4Å; I807-I880 HydrophobicContact CG2-CD1 3.9Å; N810-I880 PolarHBondContact O-N 2.89Å; L813-I880 HydrophobicContact CD1-CD1 4.28Å; V833-I880 HydrophobicContact CG1-CD1 4.07Å; V833-I880 HydrophobicContact CG1-CG1 4.45Å; V833-I880 HydrophobicContact CG2-CG1 4.33Å; V833-I880 HydrophobicContact CG2-CG2 4.08Å; F848-I880 HydrophobicContact CD2-CG1 4.34Å; F848-I880 HydrophobicContact CE2-CB 4.5Å; F848-I880 HydrophobicContact CE2-CG1 3.77Å; F848-I880 HydrophobicContact CZ-CG1 4.2Å; I872-I880 HydrophobicContact CD1-CD1 4.34Å; I872-I880 HydrophobicContact CD1-CG1 3.79Å; I880-F882 HydrophobicContact CB-CE1 4.35Å; I880-F882 HydrophobicContact CG2-CD1 3.87Å; I880-F882 HydrophobicContact CG2-CE1 3.85Å; I880-V886 HydrophobicContact CG2-CG1 3.4Å; I880-V886 VanDerWaalsContact CG2-CG1 3.4Å
881	V	92.4	Very high	90.8	Very high	86 Å²	86	54.4 Å²	54.4	52%	0.521	28%	0.282	S	S	.	.			trans	-88.5	112	173.9	-178.2	0	0	0	0	108.5	Q846 G879	Q846-V881 PolarHBondContact NE2-O 3.22Å; G879-V881 PolarHBondContact O-N 2.77Å
882	F	91.7	Very high	90.8	Very high	76 Å²	76	52.6 Å²	52.6	33%	0.333	27%	0.274	S	S	.	.			trans	-70.8	140.2	-179.5	-59	-40.3	0	0	0	112.3	I807 N810 I880 V886 P888	I807-F882 HydrophobicContact CG2-CE1 4.06Å; N810-F882 HydrophobicContact CB-CE2 4.48Å; N810-F882 HydrophobicContact CB-CZ 4.22Å; I880-F882 HydrophobicContact CB-CE1 4.35Å; I880-F882 HydrophobicContact CG2-CD1 3.87Å; I880-F882 HydrophobicContact CG2-CE1 3.85Å; F882-V886 CarbonylContact C-O 3.56Å; F882-V886 VanDerWaalsContact CA-O 3.23Å; F882-V886 WeakPolarHBondContact CA-O 3.47Å; F882-V886 WeakPolarHBondContact CB-O 3.2Å; F882-V886 HydrophobicContact CD1-CG1 4.42Å; F882-P888 HydrophobicContact CE1-CB 4.42Å; F882-P888 HydrophobicContact CE1-CG 4.21Å; F882-P888 HydrophobicContact CE2-CG 4.03Å; F882-P888 HydrophobicContact CZ-CB 4.15Å; F882-P888 HydrophobicContact CZ-CG 3.79Å
883	S	89.6	Confident	90.5	Very high	41 Å²	41	57.9 Å²	57.9	29%	0.287	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-147.4	-179.8	-177.5	79.8	0	0	0	0	110.2	F885 V886 Q887	S883-F885 PolarHBondContact O-N 3.22Å; S883-F885 PolarHBondContact OG-N 3.4Å; S883-F885 VanDerWaalsContact OG-N 3.11Å; S883-V886 PolarHBondContact N-O 3.05Å; S883-V886 CarbonylContact O-C 3.51Å; S883-V886 PolarHBondContact O-N 2.99Å; S883-V886 PolarHBondContact OG-N 2.03Å; S883-Q887 WeakPolarHBondContact O-CG 3.45Å; S883-Q887 PolarHBondContact O-NE2 2.93Å
884	K	87.5	Confident	90.2	Very high	128 Å²	128	58.1 Å²	58.1	56%	0.557	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-13.5	172.8	61.8	171.7	171	165.9	0	114.5	F761	F761-K884 HydrophobicContact CB-CB 4.15Å; F761-K884 HydrophobicContact CD2-CB 4.12Å; F761-K884 HydrophobicContact CG-CB 4.23Å
885	F	92	Very high	90.1	Very high	39 Å²	39	61 Å²	61	17%	0.171	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-12.2	178.7	-53.2	-68.8	0	0	0	113.5	H785 P789 T844 S883	H785-F885 HydrophobicContact CB-CE1 4.41Å; H785-F885 AromaticContact CD2-CD1 3.58Å; H785-F885 AromaticContact CD2-CE1 3.9Å; H785-F885 AromaticContact CE1-CD1 3.75Å; H785-F885 AromaticContact CE1-CE1 3.54Å; H785-F885 AromaticContact CE1-CZ 3.78Å; H785-F885 AromaticContact CG-CD1 3.74Å; H785-F885 AromaticContact CG-CE1 3.58Å; H785-F885 AromaticContact ND1-CD1 3.82Å; H785-F885 AromaticContact ND1-CE1 3.3Å; H785-F885 VanDerWaalsContact ND1-CE1 3.3Å; H785-F885 WeakPolarHBondContact ND1-CE1 3.38Å; H785-F885 AromaticContact ND1-CZ 3.76Å; H785-F885 AromaticContact NE2-CD1 3.59Å; H785-F885 AromaticContact NE2-CE1 3.87Å; H785-F885 AromaticContact NE2-CG 3.93Å; P789-F885 WeakPolarHBondContact CA-O 3.4Å; P789-F885 VanDerWaalsContact CB-C 3.48Å; P789-F885 VanDerWaalsContact CB-O 3.3Å; P789-F885 WeakPolarHBondContact CB-O 3.33Å; T844-F885 HydrophobicContact CG2-CD2 3.25Å; T844-F885 HydrophobicContact CG2-CE2 3.35Å; T844-F885 HydrophobicContact CG2-CG 3.94Å; T844-F885 HydrophobicContact CG2-CZ 4.13Å; S883-F885 PolarHBondContact O-N 3.22Å; S883-F885 PolarHBondContact OG-N 3.4Å; S883-F885 VanDerWaalsContact OG-N 3.11Å
886	V	93.9	Very high	90.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-135.6	108.8	-175.1	-173.8	0	0	0	0	109.1	P789 I807 V833 G834 I880 F882 S883	P789-V886 WeakPolarHBondContact O-CA 3.33Å; I807-V886 HydrophobicContact CD1-CG1 3.78Å; V833-V886 HydrophobicContact CB-CG1 4.12Å; V833-V886 HydrophobicContact CG2-CG1 3.89Å; V833-V886 HydrophobicContact CG2-CG2 4.42Å; G834-V886 VanDerWaalsContact CA-CG2 3.5Å; I880-V886 HydrophobicContact CG2-CG1 3.4Å; I880-V886 VanDerWaalsContact CG2-CG1 3.4Å; F882-V886 CarbonylContact C-O 3.56Å; F882-V886 VanDerWaalsContact CA-O 3.23Å; F882-V886 WeakPolarHBondContact CA-O 3.47Å; F882-V886 WeakPolarHBondContact CB-O 3.2Å; F882-V886 HydrophobicContact CD1-CG1 4.42Å; S883-V886 PolarHBondContact N-O 3.05Å; S883-V886 CarbonylContact O-C 3.51Å; S883-V886 PolarHBondContact O-N 2.99Å; S883-V886 PolarHBondContact OG-N 2.03Å
887	Q	94.5	Very high	90.4	Very high	19 Å²	19	51.5 Å²	51.5	9%	0.089	28%	0.282	C	S	.	.			trans	-143.6	151.1	-178.5	-69.3	-66.5	-44.8	0	0	110.2	F761 P789 W790 S883	F761-Q887 HydrophobicContact CD2-CG 4.46Å; F761-Q887 HydrophobicContact CE2-CG 3.98Å; P789-Q887 CarbonylContact C-O 3.59Å; P789-Q887 HydrophobicContact CB-CB 4.05Å; P789-Q887 HydrophobicContact CB-CG 4.25Å; P789-Q887 HydrophobicContact CG-CB 3.82Å; P789-Q887 HydrophobicContact CG-CG 4.1Å; P789-Q887 PolarHBondContact O-N 2.72Å; W790-Q887 WeakPolarHBondContact CA-O 3Å; W790-Q887 VanDerWaalsContact CB-O 3.31Å; W790-Q887 WeakPolarHBondContact CB-O 3.43Å; W790-Q887 PolarHBondContact N-O 3.29Å; S883-Q887 WeakPolarHBondContact O-CG 3.45Å; S883-Q887 PolarHBondContact O-NE2 2.93Å
888	P	96.2	Very high	91.1	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.019	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-76	143.2	173.9	30.5	-30.1	0	0	0	111.3	C757 G758 I807 F882	C757-P888 CarbonylContact C-O 3.57Å; C757-P888 WeakPolarHBondContact CA-O 3.4Å; C757-P888 HydrophobicContact CB-CG 4.27Å; G758-P888 PolarHBondContact N-O 2.94Å; I807-P888 HydrophobicContact CG2-CB 4.36Å; I807-P888 CarbonylContact O-C 3.49Å; I807-P888 VanDerWaalsContact O-CA 3.28Å; I807-P888 WeakPolarHBondContact O-CA 3.27Å; F882-P888 HydrophobicContact CE1-CB 4.42Å; F882-P888 HydrophobicContact CE1-CG 4.21Å; F882-P888 HydrophobicContact CE2-CG 4.03Å; F882-P888 HydrophobicContact CZ-CB 4.15Å; F882-P888 HydrophobicContact CZ-CG 3.79Å
889	I	96.9	Very high	91.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-80.6	149.7	165	-164.9	167	0	0	0	109.7	W790 I807 V808 A969 Y976 L978	W790-I889 HydrophobicContact CB-CB 3.77Å; W790-I889 HydrophobicContact CB-CG2 4.31Å; W790-I889 HydrophobicContact CD2-CB 3.97Å; W790-I889 HydrophobicContact CD2-CD1 4.23Å; W790-I889 HydrophobicContact CD2-CG1 4.2Å; W790-I889 HydrophobicContact CE3-CB 4.35Å; W790-I889 HydrophobicContact CG-CB 3.69Å; W790-I889 HydrophobicContact CG-CD1 4.2Å; W790-I889 HydrophobicContact CG-CG1 4.28Å; I807-I889 PolarHBondContact O-N 2.8Å; V808-I889 HydrophobicContact CG1-CG2 4.16Å; I889-A969 HydrophobicContact CD1-CB 3.59Å; I889-Y976 VanDerWaalsContact CG1-O 3.3Å; I889-Y976 WeakPolarHBondContact CG1-O 3.48Å; I889-L978 HydrophobicContact CD1-CB 3.99Å; I889-L978 HydrophobicContact CD1-CD1 4.33Å; I889-L978 HydrophobicContact CG1-CB 4.3Å; I889-L978 HydrophobicContact CG2-CB 3.82Å; I889-L978 HydrophobicContact CG2-CD2 4.32Å; I889-L978 HydrophobicContact CG2-CG 4.44Å
890	C	96.8	Very high	91.2	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.02	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-73.7	143.1	174.4	-61.5	0	0	0	0	111.2	C757 Y976 Y977 L978	C757-C890 HydrophobicContact CB-CB 4.01Å; C757-C890 WeakPolarHBondContact CB-SG 2.99Å; C757-C890 PolarHBondContact O-SG 3.35Å; C757-C890 WeakPolarHBondContact SG-CA 3.36Å; C757-C890 WeakPolarHBondContact SG-CB 3.3Å; C757-C890 CovalentContact SG-SG 2.05Å; C757-C890 PolarHBondContact SG-SG 3.32Å; C890-Y976 WeakPolarHBondContact CB-O 2.91Å; C890-Y976 PolarHBondContact N-O 3.31Å; C890-Y976 VanDerWaalsContact N-O 3.16Å; C890-Y977 HydrophobicContact CB-CD1 3.42Å; C890-Y977 VanDerWaalsContact CB-CD1 3.42Å; C890-Y977 HydrophobicContact CB-CD2 4.49Å; C890-Y977 HydrophobicContact CB-CE1 3.53Å; C890-Y977 HydrophobicContact CB-CG 3.96Å; C890-Y977 CarbonylContact O-C 3.01Å; C890-Y977 VanDerWaalsContact O-CA 3.31Å; C890-Y977 WeakPolarHBondContact O-CA 3.39Å; C890-L978 PolarHBondContact O-N 3.05Å
891	L	96	Very high	90.8	Very high	41 Å²	41	53 Å²	53	22%	0.215	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-74.9	142.8	164.3	-69.7	177.9	0	0	0	110.1	V808 I814 Y977 V1000 L1004 I1007 L1011	V808-L891 HydrophobicContact CG1-CD2 3.97Å; I814-L891 HydrophobicContact CD1-CD2 3.73Å; L891-Y977 VanDerWaalsContact O-CD1 3.29Å; L891-Y977 WeakPolarHBondContact O-CD1 3.39Å; L891-V1000 HydrophobicContact CD2-CG1 4.39Å; L891-L1004 HydrophobicContact CB-CD2 4.07Å; L891-I1007 HydrophobicContact CD1-CG2 3.72Å; L891-I1007 HydrophobicContact CD2-CG2 4.27Å; L891-L1011 HydrophobicContact CD1-CD1 3.85Å
892	P	93.8	Very high	90.6	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.039	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-64.3	153.1	-179.5	26.1	-32.7	0	0	0	111.7	A896 L978 V1000 K1001 L1004	P892-A896 HydrophobicContact CB-CB 3.77Å; P892-L978 VanDerWaalsContact CD-O 3.24Å; P892-L978 WeakPolarHBondContact CD-O 3.49Å; P892-L978 WeakPolarHBondContact CG-O 3.39Å; P892-V1000 HydrophobicContact CG-CB 4.31Å; P892-V1000 HydrophobicContact CG-CG1 3.91Å; P892-K1001 HydrophobicContact CG-CB 4.2Å; P892-L1004 HydrophobicContact CG-CD1 4.48Å; P892-L1004 HydrophobicContact CG-CD2 4.16Å; P892-L1004 WeakPolarHBondContact O-CD1 3.27Å; P892-L1004 WeakPolarHBondContact O-CD2 3.39Å
893	E	89.2	Confident	90.4	Very high	111 Å²	111	53.9 Å²	53.9	52%	0.519	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-72.4	158.3	168.7	-65.5	178.8	-161.5	0	0	110.7	N895 A896	E893-N895 WeakPolarHBondContact CB-OD1 3.32Å; E893-N895 PolarHBondContact O-N 3.18Å; E893-N895 PolarHBondContact OE2-OD1 2.85Å; E893-A896 WeakPolarHBondContact O-CB 3.36Å; E893-A896 PolarHBondContact O-N 2.94Å
894	V	86.1	Confident	90.6	Very high	112 Å²	112	52 Å²	52	68%	0.679	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.9	-177.4	-178.5	0	0	0	0	111.9	A896 L1004	V894-A896 VanDerWaalsContact C-N 3.34Å; V894-L1004 HydrophobicContact CG2-CD1 4.19Å
895	N	86.6	Confident	90.8	Very high	123 Å²	123	46.6 Å²	46.6	66%	0.658	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	7.2	175.8	63.1	-4.7	0	0	0	113.6	E893 S897	E893-N895 WeakPolarHBondContact CB-OD1 3.32Å; E893-N895 PolarHBondContact O-N 3.18Å; E893-N895 PolarHBondContact OE2-OD1 2.85Å; N895-S897 PolarHBondContact O-N 3.33Å
896	A	87	Confident	90.9	Very high	13 Å²	13	44.9 Å²	44.9	11%	0.107	25%	0.252	C	S	.	.			trans	-54.9	129	-175.6	0	0	0	0	0	112	P892 E893 V894 Y898	P892-A896 HydrophobicContact CB-CB 3.77Å; E893-A896 WeakPolarHBondContact O-CB 3.36Å; E893-A896 PolarHBondContact O-N 2.94Å; V894-A896 VanDerWaalsContact C-N 3.34Å; A896-Y898 HydrophobicContact CB-CE2 4.23Å; A896-Y898 WeakPolarHBondContact O-CD2 3.26Å; A896-Y898 WeakPolarHBondContact O-CE2 3.41Å
897	S	85.5	Confident	90.8	Very high	59 Å²	59	45.1 Å²	45.1	41%	0.413	25%	0.253	S	S	.	.			trans	-85.2	143.7	-177	67.5	0	0	0	0	111.8	N895 H979	N895-S897 PolarHBondContact O-N 3.33Å; S897-H979 PolarHBondContact O-CE1 3.03Å; S897-H979 PolarHBondContact O-ND1 3.09Å
898	Y	89.9	Confident	90.6	Very high	23 Å²	23	44.2 Å²	44.2	9%	0.09	25%	0.249	C	C	.	.			trans	-123.8	48	177.6	-70.2	-111.7	0	0	0	108.2	A896 I927 F948 H979 R999 K1001	A896-Y898 HydrophobicContact CB-CE2 4.23Å; A896-Y898 WeakPolarHBondContact O-CD2 3.26Å; A896-Y898 WeakPolarHBondContact O-CE2 3.41Å; Y898-I927 HydrophobicContact CD1-CD1 4.21Å; Y898-F948 HydrophobicContact CD1-CD1 4.03Å; Y898-F948 AromaticContact CD1-CE1 3.99Å; Y898-F948 HydrophobicContact CD1-CE1 3.99Å; Y898-F948 HydrophobicContact CD1-CE2 4.47Å; Y898-F948 HydrophobicContact CD1-CG 4.28Å; Y898-F948 HydrophobicContact CD1-CZ 4.21Å; Y898-F948 HydrophobicContact CE1-CD1 4.03Å; Y898-F948 AromaticContact CE1-CE1 3.66Å; Y898-F948 HydrophobicContact CE1-CE1 3.66Å; Y898-F948 HydrophobicContact CE1-CZ 4.04Å; Y898-H979 HydrophobicContact CE1-CB 3.81Å; Y898-H979 VanDerWaalsContact CE1-O 3.29Å; Y898-H979 WeakPolarHBondContact CE1-O 3.34Å; Y898-H979 AromaticContact CE2-ND1 3.98Å; Y898-H979 AromaticContact CZ-ND1 3.83Å; Y898-H979 PolarHBondContact OH-O 3.4Å; Y898-R999 HydrophobicContact CD1-CG 4.09Å; Y898-R999 HydrophobicContact CE1-CG 3.51Å; Y898-R999 HydrophobicContact CE2-CG 4.19Å; Y898-K1001 HydrophobicContact CD2-CD 4.28Å; Y898-K1001 HydrophobicContact CE2-CB 4.19Å; Y898-K1001 HydrophobicContact CE2-CD 3.68Å; Y898-K1001 HydrophobicContact CE2-CG 3.64Å; Y898-K1001 PolarHBondContact OH-N 3.02Å
899	E	88.2	Confident	90.2	Very high	114 Å²	114	44.2 Å²	44.2	53%	0.533	25%	0.249	S	C	.	.			trans	-63.3	131.5	-174.3	-66.4	-55.3	132.3	0	0	111.4	G901 N902	E899-G901 PolarHBondContact O-N 2.86Å; E899-N902 VanDerWaalsContact O-CB 3.28Å; E899-N902 WeakPolarHBondContact O-CB 3.29Å; E899-N902 PolarHBondContact O-N 3.28Å
900	P	87.4	Confident	89.1	Confident	68 Å²	68	44.1 Å²	44.1	44%	0.442	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	129.6	177.5	-25.3	36.5	0	0	0	111.9	I927	P900-I927 CarbonylContact C-O 3.53Å; P900-I927 WeakPolarHBondContact CA-O 3.41Å
901	G	85.1	Confident	87.7	Confident	47 Å²	47	45 Å²	45	49%	0.485	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	-16.4	-174	0	0	0	0	0	114.2	E899 K903 I927	E899-G901 PolarHBondContact O-N 2.86Å; G901-K903 PolarHBondContact O-N 2.83Å; G901-I927 PolarHBondContact N-O 3.48Å
902	N	88.3	Confident	85.9	Confident	73 Å²	73	44.6 Å²	44.6	39%	0.39	25%	0.254	S	S	.	.			trans	-60.2	122.3	171.8	-79.8	0.7	0	0	0	109.5	E899 P926 I927	E899-N902 VanDerWaalsContact O-CB 3.28Å; E899-N902 WeakPolarHBondContact O-CB 3.29Å; E899-N902 PolarHBondContact O-N 3.28Å; N902-P926 CarbonylContact O-C 3.56Å; N902-P926 WeakPolarHBondContact O-CA 3.3Å; N902-I927 HydrophobicContact CB-CD1 4.34Å; N902-I927 PolarHBondContact O-N 3.35Å
903	K	88.6	Confident	84.1	Confident	106 Å²	106	47.3 Å²	47.3	46%	0.461	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.3	179.9	-63.6	-162.1	-169.2	-175.1	0	111.2	G901 E924 I925 P926	G901-K903 PolarHBondContact O-N 2.83Å; K903-E924 HydrophobicContact CB-CG 3.94Å; K903-E924 HydrophobicContact CD-CG 3.83Å; K903-E924 WeakPolarHBondContact CD-OE1 3.1Å; K903-E924 WeakPolarHBondContact CE-OE1 3.41Å; K903-E924 IonicContact NZ-OE1 3.85Å; K903-E924 PolarHBondContact NZ-OE1 2.92Å; K903-I925 WeakPolarHBondContact CA-O 3.26Å; K903-P926 HydrophobicContact CG-CB 4.38Å
904	C	93.3	Very high	82.3	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.02	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	165.1	176.5	-52.6	0	0	0	0	109.8	I925 F968 A969 C970	C904-I925 PolarHBondContact N-O 2.87Å; C904-I925 PolarHBondContact O-N 2.05Å; C904-F968 HydrophobicContact CB-CD1 3.89Å; C904-F968 HydrophobicContact CB-CE1 3.36Å; C904-F968 HydrophobicContact CB-CE2 4.31Å; C904-F968 HydrophobicContact CB-CZ 3.6Å; C904-F968 VanDerWaalsContact SG-CE1 3.59Å; C904-A969 WeakPolarHBondContact CB-O 3.05Å; C904-C970 HydrophobicContact CB-CB 3.94Å; C904-C970 WeakPolarHBondContact CB-SG 3.46Å; C904-C970 VanDerWaalsContact SG-CA 3.55Å; C904-C970 WeakPolarHBondContact SG-CB 3.36Å; C904-C970 CovalentContact SG-SG 2.03Å; C904-C970 PolarHBondContact SG-SG 2.81Å
905	T	92.3	Very high	81	Confident	13 Å²	13	49.9 Å²	49.9	8%	0.08	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125	-173.2	-54.5	0	0	0	0	110.9	F788 A922 A923 A969	F788-T905 HydrophobicContact CE1-CG2 3.87Å; F788-T905 HydrophobicContact CE2-CG2 4.06Å; F788-T905 HydrophobicContact CZ-CG2 3.6Å; T905-A922 HydrophobicContact CG2-CB 3.9Å; T905-A923 WeakPolarHBondContact CA-O 3.48Å; T905-A969 PolarHBondContact N-O 3.26Å; T905-A969 PolarHBondContact O-N 2.82Å
906	I	93.4	Very high	79.9	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	148.6	163.1	53.6	165.3	0	0	0	109.9	A922 A923 I925 P967 F968 I982 Y997	I906-A922 CarbonylContact O-C 3.5Å; I906-A922 WeakPolarHBondContact O-CA 3.39Å; I906-A922 VanDerWaalsContact O-CB 3.25Å; I906-A922 WeakPolarHBondContact O-CB 3.38Å; I906-A923 HydrophobicContact CD1-CB 4.16Å; I906-A923 HydrophobicContact CG1-CB 3.91Å; I906-A923 WeakPolarHBondContact CG1-O 3.23Å; I906-A923 PolarHBondContact N-O 3.03Å; I906-A923 PolarHBondContact O-N 2.79Å; I906-I925 HydrophobicContact CD1-CD1 3.99Å; I906-I925 HydrophobicContact CG1-CD1 4.11Å; I906-I925 HydrophobicContact CG1-CG1 4.37Å; I906-I925 HydrophobicContact CG2-CD1 3.83Å; I906-I925 HydrophobicContact CG2-CG1 4.38Å; I906-P967 WeakPolarHBondContact CA-O 3.42Å; I906-F968 HydrophobicContact CG2-CB 4.35Å; I906-F968 HydrophobicContact CG2-CD2 3.58Å; I906-F968 HydrophobicContact CG2-CE2 4.37Å; I906-F968 HydrophobicContact CG2-CG 4.37Å; I906-I982 HydrophobicContact CB-CD1 4.12Å; I906-I982 HydrophobicContact CG2-CD1 4.13Å; I906-I982 HydrophobicContact CG2-CG1 4.45Å; I906-Y997 HydrophobicContact CG2-CE1 3.75Å
907	S	92.3	Very high	78.9	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.028	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	144.4	174.4	64.4	0	0	0	0	112.5	T791 Q921 P967	T791-S907 PolarHBondContact OG1-OG 3.16Å; S907-Q921 CarbonylContact C-O 3.27Å; S907-Q921 WeakPolarHBondContact CA-O 3.05Å; S907-Q921 WeakPolarHBondContact CB-O 3.37Å; S907-P967 WeakPolarHBondContact OG-CG 3.45Å
908	G	90.8	Very high	78.7	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.01	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175	-172.8	-178.4	0	0	0	0	0	114.4	Q921 D963	G908-Q921 PolarHBondContact N-O 2.86Å; G908-Q921 PolarHBondContact O-N 3.5Å; G908-Q921 VanDerWaalsContact O-N 3.07Å; G908-D963 VanDerWaalsContact C-OD1 3.29Å; G908-D963 VanDerWaalsContact CA-OD1 3.27Å; G908-D963 WeakPolarHBondContact CA-OD1 3.49Å
909	W	87.9	Confident	78.5	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.008	30%	0.298	C	S	.	.			trans	-117.8	22	179.5	-62	-92.8	0	0	0	112.4	T791 A793 H801 D835 T838 P917 L920 D963	T791-W909 HydrophobicContact CG2-CH2 4.23Å; T791-W909 HydrophobicContact CG2-CZ3 3.86Å; A793-W909 HydrophobicContact CB-CE3 4.25Å; A793-W909 HydrophobicContact CB-CH2 4.29Å; A793-W909 HydrophobicContact CB-CZ3 3.86Å; H801-W909 AromaticContact CE1-CE3 3.75Å; D835-W909 HydrophobicContact CB-CH2 4.39Å; D835-W909 HydrophobicContact CB-CZ2 4.21Å; D835-W909 VanDerWaalsContact O-CZ2 3.25Å; D835-W909 WeakPolarHBondContact O-CZ2 3.26Å; T838-W909 HydrophobicContact CG2-CB 4.39Å; T838-W909 HydrophobicContact CG2-CD2 4.17Å; T838-W909 HydrophobicContact CG2-CG 3.78Å; W909-P917 WeakPolarHBondContact O-CD 3Å; W909-L920 HydrophobicContact CD2-CD1 3.93Å; W909-L920 HydrophobicContact CE3-CD1 4.07Å; W909-L920 HydrophobicContact CH2-CD1 3.94Å; W909-L920 HydrophobicContact CZ2-CB 3.89Å; W909-L920 HydrophobicContact CZ2-CD1 3.78Å; W909-L920 HydrophobicContact CZ2-CD2 4.46Å; W909-L920 HydrophobicContact CZ2-CG 4.24Å; W909-L920 HydrophobicContact CZ3-CD1 4.07Å; W909-L920 VanDerWaalsContact NE1-N 3.2Å; W909-D963 PolarHBondContact N-OD1 2.88Å
910	G	73.5	Confident	78.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.275	C	S	.	.			trans	-72.7	166.1	179.5	0	0	0	0	0	114.2	P917 K961 D963	G910-P917 WeakPolarHBondContact O-CD 3.45Å; G910-P917 WeakPolarHBondContact O-CG 3.34Å; G910-K961 CarbonylContact C-O 3.53Å; G910-K961 WeakPolarHBondContact CA-O 3.44Å; G910-D963 VanDerWaalsContact CA-CG 3.5Å; G910-D963 VanDerWaalsContact CA-OD1 3.3Å; G910-D963 WeakPolarHBondContact CA-OD1 3.49Å; G910-D963 PolarHBondContact N-OD1 2.69Å
911	S	67.2	Low	78.6	Confident	23 Å²	23	45.6 Å²	45.6	16%	0.161	25%	0.254	C	S	.	.			trans	-64.6	137.3	-165.2	-160	0	0	0	0	114.5	G913 N916 C960 K961	S911-G913 PolarHBondContact O-N 2.87Å; S911-G913 PolarHBondContact OG-N 2.84Å; S911-N916 WeakPolarHBondContact CB-OD1 3.05Å; S911-N916 PolarHBondContact OG-OD1 2.99Å; S911-C960 WeakPolarHBondContact O-CB 3.34Å; S911-C960 PolarHBondContact O-SG 3.23Å; S911-C960 VanDerWaalsContact O-SG 3.32Å; S911-K961 PolarHBondContact N-O 2.99Å
912	T	57.6	Low	78.7	Confident	32 Å²	32	43.3 Å²	43.3	20%	0.196	23%	0.231	C	C	.	.			trans	-73.3	-4.4	170.7	53	0	0	0	0	115.1	R776 T914 Q915	R776-T912 VanDerWaalsContact C-CG2 3.47Å; R776-T912 VanDerWaalsContact CA-CG2 3.42Å; R776-T912 HydrophobicContact CB-CG2 3.44Å; R776-T912 VanDerWaalsContact CB-CG2 3.44Å; R776-T912 HydrophobicContact CG-CG2 3.97Å; R776-T912 WeakPolarHBondContact O-CG2 3.5Å; T912-T914 VanDerWaalsContact C-N 3.34Å; T912-T914 PolarHBondContact OG1-N 2.83Å; T912-T914 PolarHBondContact OG1-OG1 2.97Å; T912-Q915 PolarHBondContact N-O 2.8Å; T912-Q915 PolarHBondContact OG1-N 2.86Å; T912-Q915 VanDerWaalsContact OG1-N 3.11Å; T912-Q915 PolarHBondContact OG1-O 3.03Å
913	G	56	Low	78.6	Confident	62 Å²	62	40 Å²	40	64%	0.639	21%	0.213	S	C	*	.	S	Bend	trans	90.5	-15.3	-164.1	0	0	0	0	0	114.3	S911	S911-G913 PolarHBondContact O-N 2.87Å; S911-G913 PolarHBondContact OG-N 2.84Å
914	T	52.3	Low	78.5	Confident	128 Å²	128	39.3 Å²	39.3	79%	0.785	21%	0.211	S	C	*	.	S	Bend	trans	-118.6	-44.9	172.1	61.9	0	0	0	0	113.7	T912	T912-T914 VanDerWaalsContact C-N 3.34Å; T912-T914 PolarHBondContact OG1-N 2.83Å; T912-T914 PolarHBondContact OG1-OG1 2.97Å
915	Q	57.9	Low	78.3	Confident	149 Å²	149	39.1 Å²	39.1	70%	0.696	21%	0.21	S	C	*	.	S	Bend	trans	-146.9	163.8	176.3	-62.9	-173.5	8.2	0	0	110.9	T912	T912-Q915 PolarHBondContact N-O 2.8Å; T912-Q915 PolarHBondContact OG1-N 2.86Å; T912-Q915 VanDerWaalsContact OG1-N 3.11Å; T912-Q915 PolarHBondContact OG1-O 3.03Å
916	N	63	Low	78.3	Confident	95 Å²	95	39.3 Å²	39.3	51%	0.508	21%	0.212	S	C	.	.			trans	-77.8	132.6	171.5	-65.9	4.7	0	0	0	109.3	S911 R918	S911-N916 WeakPolarHBondContact CB-OD1 3.05Å; S911-N916 PolarHBondContact OG-OD1 2.99Å; N916-R918 PolarHBondContact O-N 3.41Å
917	P	67.4	Low	78.3	Confident	6 Å²	6	39.3 Å²	39.3	4%	0.039	21%	0.212	C	C	.	.			trans	-66.7	130.1	177.5	29.5	-36.7	0	0	0	111.1	R776 W909 G910 R919 Q921	R776-P917 HydrophobicContact CB-CB 3.93Å; R776-P917 WeakPolarHBondContact O-CG 3.38Å; W909-P917 WeakPolarHBondContact O-CD 3Å; G910-P917 WeakPolarHBondContact O-CD 3.45Å; G910-P917 WeakPolarHBondContact O-CG 3.34Å; P917-R919 VanDerWaalsContact C-N 3.33Å; P917-Q921 HydrophobicContact CB-CG 3.7Å; P917-Q921 HydrophobicContact CG-CG 3.83Å
918	R	80.1	Confident	78.2	Confident	112 Å²	112	40.5 Å²	40.5	42%	0.423	22%	0.218	S	C	.	.	S	Bend	trans	-64.3	-35.6	173	172.1	177.4	159	-172	-12.9	112.6	D837 T838 N839 N916	D837-R918 CarbonylContact C-O 3.56Å; D837-R918 WeakPolarHBondContact CA-O 3.05Å; D837-R918 WeakPolarHBondContact OD1-CG 3.44Å; D837-R918 IonicContact OD1-CZ 2.78Å; D837-R918 IonicContact OD1-NE 3.42Å; D837-R918 PolarHBondContact OD1-NE 3.12Å; D837-R918 IonicContact OD1-NH2 3.85Å; D837-R918 PolarHBondContact OD1-NH2 3.03Å; D837-R918 IonicContact OD2-CZ 3.24Å; D837-R918 VanDerWaalsContact OD2-CZ 3.24Å; D837-R918 IonicContact OD2-NE 3.13Å; D837-R918 PolarHBondContact OD2-NE 3.09Å; D837-R918 IonicContact OD2-NH2 2.75Å; D837-R918 PolarHBondContact OD2-NH2 3.02Å; T838-R918 PolarHBondContact N-O 3.16Å; T838-R918 PolarHBondContact OG1-O 2.63Å; N839-R918 HydrophobicContact CB-CG 4.07Å; N916-R918 PolarHBondContact O-N 3.41Å
919	R	86.9	Confident	78.2	Confident	87 Å²	87	42 Å²	42	33%	0.328	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-108.5	148.1	-178.1	-72.7	176.8	176.7	178.7	-2.7	112.1	E782 W836 D837 P917 Q921	E782-R919 VanDerWaalsContact CD-CD 3.45Å; E782-R919 HydrophobicContact CG-CB 4.2Å; E782-R919 WeakPolarHBondContact OE1-CD 3.45Å; E782-R919 IonicContact OE1-CZ 3.23Å; E782-R919 IonicContact OE1-NE 3.25Å; E782-R919 IonicContact OE1-NH1 2.68Å; E782-R919 PolarHBondContact OE1-NH1 3.24Å; W836-R919 VanDerWaalsContact CH2-CZ 3.41Å; W836-R919 HydrophobicContact CZ2-CG 4.33Å; W836-R919 CarbonylContact O-C 3.58Å; W836-R919 WeakPolarHBondContact O-CA 3.3Å; D837-R919 HydrophobicContact CB-CG 4.13Å; D837-R919 IonicContact OD2-NE 2.98Å; D837-R919 PolarHBondContact OD2-NE 3.48Å; P917-R919 VanDerWaalsContact C-N 3.33Å; R919-Q921 WeakPolarHBondContact O-CG 3.43Å; R919-Q921 PolarHBondContact O-N 3.07Å; R919-Q921 PolarHBondContact O-NE2 2.91Å
920	L	88	Confident	78	Confident	9 Å²	9	45.7 Å²	45.7	5%	0.047	25%	0.245	C	C	.	.			trans	-54.7	136.8	-179.8	-177.9	63.8	0	0	0	111.6	V783 T791 W836 W909	V783-L920 HydrophobicContact CB-CB 4.36Å; V783-L920 HydrophobicContact CB-CD2 4.39Å; V783-L920 HydrophobicContact CB-CG 4.18Å; V783-L920 WeakPolarHBondContact CB-O 3.16Å; V783-L920 HydrophobicContact CG1-CD2 4.14Å; V783-L920 HydrophobicContact CG1-CG 4.46Å; V783-L920 HydrophobicContact CG2-CG 4.2Å; V783-L920 PolarHBondContact N-O 3.3Å; T791-L920 HydrophobicContact CG2-CD1 3.99Å; W836-L920 PolarHBondContact O-N 3.19Å; W909-L920 HydrophobicContact CD2-CD1 3.93Å; W909-L920 HydrophobicContact CE3-CD1 4.07Å; W909-L920 HydrophobicContact CH2-CD1 3.94Å; W909-L920 HydrophobicContact CZ2-CB 3.89Å; W909-L920 HydrophobicContact CZ2-CD1 3.78Å; W909-L920 HydrophobicContact CZ2-CD2 4.46Å; W909-L920 HydrophobicContact CZ2-CG 4.24Å; W909-L920 HydrophobicContact CZ3-CD1 4.07Å; W909-L920 VanDerWaalsContact NE1-N 3.2Å
921	Q	88.2	Confident	78.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157.7	-178.1	-55.2	-68.3	-54.9	0	0	109.9	R776 V777 F781 S907 G908 P917 R919	R776-Q921 VanDerWaalsContact C-CG 3.43Å; R776-Q921 VanDerWaalsContact CA-OE1 3.3Å; R776-Q921 HydrophobicContact CB-CG 4.11Å; R776-Q921 WeakPolarHBondContact O-CG 3.49Å; V777-Q921 HydrophobicContact CB-CB 3.91Å; V777-Q921 HydrophobicContact CG2-CB 3.5Å; V777-Q921 VanDerWaalsContact CG2-CB 3.5Å; V777-Q921 HydrophobicContact CG2-CG 4.34Å; F781-Q921 WeakPolarHBondContact O-CA 3.42Å; F781-Q921 PolarHBondContact O-OE1 3.13Å; S907-Q921 CarbonylContact C-O 3.27Å; S907-Q921 WeakPolarHBondContact CA-O 3.05Å; S907-Q921 WeakPolarHBondContact CB-O 3.37Å; G908-Q921 PolarHBondContact N-O 2.86Å; G908-Q921 PolarHBondContact O-N 3.5Å; G908-Q921 VanDerWaalsContact O-N 3.07Å; P917-Q921 HydrophobicContact CB-CG 3.7Å; P917-Q921 HydrophobicContact CG-CG 3.83Å; R919-Q921 WeakPolarHBondContact O-CG 3.43Å; R919-Q921 PolarHBondContact O-N 3.07Å; R919-Q921 PolarHBondContact O-NE2 2.91Å
922	A	88.4	Confident	79.5	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	158.7	173.9	0	0	0	0	0	112.3	G780 F781 V783 F788 T905 I906	G780-A922 CarbonylContact C-O 3.49Å; G780-A922 WeakPolarHBondContact CA-O 3.43Å; F781-A922 HydrophobicContact CD2-CB 4.48Å; F781-A922 HydrophobicContact CE2-CB 3.8Å; F781-A922 HydrophobicContact CZ-CB 3.92Å; F781-A922 PolarHBondContact N-O 3.45Å; F781-A922 PolarHBondContact O-N 3.11Å; V783-A922 HydrophobicContact CG2-CB 3.45Å; V783-A922 VanDerWaalsContact CG2-CB 3.45Å; F788-A922 HydrophobicContact CD2-CB 3.87Å; F788-A922 HydrophobicContact CE2-CB 3.39Å; F788-A922 HydrophobicContact CZ-CB 4.25Å; T905-A922 HydrophobicContact CG2-CB 3.9Å; I906-A922 CarbonylContact O-C 3.5Å; I906-A922 WeakPolarHBondContact O-CA 3.39Å; I906-A922 VanDerWaalsContact O-CB 3.25Å; I906-A922 WeakPolarHBondContact O-CB 3.38Å
923	A	85.3	Confident	80.8	Confident	2 Å²	2	53.6 Å²	53.6	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	144	174.9	0	0	0	0	0	111.2	V777 T905 I906 V957	V777-A923 HydrophobicContact CG1-CB 4.12Å; T905-A923 WeakPolarHBondContact CA-O 3.48Å; I906-A923 HydrophobicContact CD1-CB 4.16Å; I906-A923 HydrophobicContact CG1-CB 3.91Å; I906-A923 WeakPolarHBondContact CG1-O 3.23Å; I906-A923 PolarHBondContact N-O 3.03Å; I906-A923 PolarHBondContact O-N 2.79Å; A923-V957 HydrophobicContact CB-CG1 3.59Å
924	E	87	Confident	82.2	Confident	92 Å²	92	52.6 Å²	52.6	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.5	177.3	-173.7	-170.9	95.1	0	0	109.6	K903 Y952	K903-E924 HydrophobicContact CB-CG 3.94Å; K903-E924 HydrophobicContact CD-CG 3.83Å; K903-E924 WeakPolarHBondContact CD-OE1 3.1Å; K903-E924 WeakPolarHBondContact CE-OE1 3.41Å; K903-E924 IonicContact NZ-OE1 3.85Å; K903-E924 PolarHBondContact NZ-OE1 2.92Å; E924-Y952 PolarHBondContact O-OH 3.11Å; E924-Y952 VanDerWaalsContact O-OH 3.12Å
925	I	88.9	Confident	83.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.1	-173.1	54.9	169.5	0	0	0	111.7	K903 C904 I906 A950 Y952 V957 F968 Y997	K903-I925 WeakPolarHBondContact CA-O 3.26Å; C904-I925 PolarHBondContact N-O 2.87Å; C904-I925 PolarHBondContact O-N 2.05Å; I906-I925 HydrophobicContact CD1-CD1 3.99Å; I906-I925 HydrophobicContact CG1-CD1 4.11Å; I906-I925 HydrophobicContact CG1-CG1 4.37Å; I906-I925 HydrophobicContact CG2-CD1 3.83Å; I906-I925 HydrophobicContact CG2-CG1 4.38Å; I925-A950 HydrophobicContact CD1-CB 4.16Å; I925-Y952 HydrophobicContact CG2-CD2 4.43Å; I925-Y952 HydrophobicContact CG2-CE2 4Å; I925-V957 HydrophobicContact CG2-CB 4.28Å; I925-V957 HydrophobicContact CG2-CG1 3.73Å; I925-F968 HydrophobicContact CD1-CD2 4.21Å; I925-F968 HydrophobicContact CD1-CE2 3.74Å; I925-F968 HydrophobicContact CG1-CE2 3.82Å; I925-Y997 HydrophobicContact CD1-CE2 4.32Å; I925-Y997 WeakPolarHBondContact CD1-OH 3.34Å
926	P	91.7	Very high	84.3	Confident	17 Å²	17	45.5 Å²	45.5	11%	0.11	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	142.5	178.4	32.9	-33.4	0	0	0	111.7	N902 K903 A950 G951 Y952	N902-P926 CarbonylContact O-C 3.56Å; N902-P926 WeakPolarHBondContact O-CA 3.3Å; K903-P926 HydrophobicContact CG-CB 4.38Å; P926-A950 CarbonylContact O-C 3.56Å; P926-A950 WeakPolarHBondContact O-CA 3.39Å; P926-A950 VanDerWaalsContact O-CB 3.31Å; P926-A950 WeakPolarHBondContact O-CB 3.18Å; P926-G951 WeakPolarHBondContact CG-O 3.22Å; P926-G951 PolarHBondContact O-N 3.35Å; P926-Y952 HydrophobicContact CG-CD1 4.3Å; P926-Y952 HydrophobicContact CG-CE1 4.01Å
927	I	93.8	Very high	84.5	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.021	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-60	134.6	162.1	-61.7	176.1	0	0	0	108.4	Y898 P900 G901 N902 F948 F968	Y898-I927 HydrophobicContact CD1-CD1 4.21Å; P900-I927 CarbonylContact C-O 3.53Å; P900-I927 WeakPolarHBondContact CA-O 3.41Å; G901-I927 PolarHBondContact N-O 3.48Å; N902-I927 HydrophobicContact CB-CD1 4.34Å; N902-I927 PolarHBondContact O-N 3.35Å; I927-F948 HydrophobicContact CG1-CD2 4.41Å; I927-F948 HydrophobicContact CG1-CE2 4.16Å; I927-F948 HydrophobicContact CG2-CD2 4.18Å; I927-F968 HydrophobicContact CD1-CE1 4.13Å; I927-F968 HydrophobicContact CD1-CZ 4.5Å; I927-F968 HydrophobicContact CG1-CE1 3.83Å; I927-F968 HydrophobicContact CG1-CZ 3.7Å
928	L	90.6	Very high	85	Confident	29 Å²	29	46 Å²	46	15%	0.152	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-99.1	155.5	175.5	-66.6	173	0	0	0	110.5	T932 C949 L953 P994	L928-T932 HydrophobicContact CB-CG2 4.5Å; L928-C949 PolarHBondContact N-O 3.35Å; L928-L953 HydrophobicContact CD1-CD2 4.03Å; L928-P994 HydrophobicContact CD1-CB 3.68Å; L928-P994 HydrophobicContact CD1-CG 3.61Å
929	S	90.4	Very high	85.2	Confident	32 Å²	32	41.2 Å²	41.2	22%	0.224	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-71.1	147.1	-179.3	85.6	0	0	0	0	111.1	K931 T932 C933	S929-K931 PolarHBondContact O-N 3.06Å; S929-K931 VanDerWaalsContact O-N 3.16Å; S929-T932 CarbonylContact O-C 3.51Å; S929-T932 WeakPolarHBondContact O-CA 3.4Å; S929-T932 VanDerWaalsContact O-CB 3.28Å; S929-T932 WeakPolarHBondContact O-CB 3.46Å; S929-T932 PolarHBondContact O-N 2.98Å; S929-T932 WeakPolarHBondContact OG-CB 3.35Å; S929-T932 PolarHBondContact OG-N 3.48Å; S929-T932 VanDerWaalsContact OG-N 3.07Å; S929-T932 PolarHBondContact OG-OG1 3.02Å; S929-C933 PolarHBondContact O-N 3.43Å; S929-C933 PolarHBondContact O-SG 2.79Å; S929-C933 VanDerWaalsContact O-SG 3.33Å
930	Q	84.7	Confident	84.9	Confident	79 Å²	79	37.5 Å²	37.5	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-54.1	-38.5	176.2	-167.7	65.6	24.8	0	0	111.5	T932 C933 S934	Q930-T932 VanDerWaalsContact C-N 3.3Å; Q930-T932 PolarHBondContact O-N 2.95Å; Q930-C933 PolarHBondContact O-N 3.06Å; Q930-S934 PolarHBondContact NE2-OG 3.34Å; Q930-S934 VanDerWaalsContact O-CB 3.28Å; Q930-S934 WeakPolarHBondContact O-CB 3.02Å; Q930-S934 PolarHBondContact O-N 2.63Å; Q930-S934 PolarHBondContact O-OG 2.82Å
931	K	84.7	Confident	84.4	Confident	181 Å²	181	43.4 Å²	43.4	79%	0.787	23%	0.23	S	C	*	.	H	α-helix	trans	-61.8	-35.7	174.5	-175.5	-179	177.9	-175.9	0	113	S929 D935	S929-K931 PolarHBondContact O-N 3.06Å; S929-K931 VanDerWaalsContact O-N 3.16Å; K931-D935 PolarHBondContact O-N 2.97Å
932	T	86.6	Confident	84	Confident	41 Å²	41	47.8 Å²	47.8	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-72.9	-44.7	175.7	-54.9	0	0	0	0	111.1	L928 S929 Q930 D935 V938 L953	L928-T932 HydrophobicContact CB-CG2 4.5Å; S929-T932 CarbonylContact O-C 3.51Å; S929-T932 WeakPolarHBondContact O-CA 3.4Å; S929-T932 VanDerWaalsContact O-CB 3.28Å; S929-T932 WeakPolarHBondContact O-CB 3.46Å; S929-T932 PolarHBondContact O-N 2.98Å; S929-T932 WeakPolarHBondContact OG-CB 3.35Å; S929-T932 PolarHBondContact OG-N 3.48Å; S929-T932 VanDerWaalsContact OG-N 3.07Å; S929-T932 PolarHBondContact OG-OG1 3.02Å; Q930-T932 VanDerWaalsContact C-N 3.3Å; Q930-T932 PolarHBondContact O-N 2.95Å; T932-D935 WeakPolarHBondContact O-CB 3.05Å; T932-D935 PolarHBondContact O-N 2.96Å; T932-V938 WeakPolarHBondContact O-CB 3.37Å; T932-V938 WeakPolarHBondContact O-CG2 3.39Å; T932-L953 HydrophobicContact CG2-CD1 3.72Å; T932-L953 HydrophobicContact CG2-CD2 4.03Å; T932-L953 HydrophobicContact CG2-CG 4.25Å
933	C	85.7	Confident	83.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-44.1	179.7	-58.7	0	0	0	0	111.1	S929 Q930 D935 V938 Y939 L943 C949	S929-C933 PolarHBondContact O-N 3.43Å; S929-C933 PolarHBondContact O-SG 2.79Å; S929-C933 VanDerWaalsContact O-SG 3.33Å; Q930-C933 PolarHBondContact O-N 3.06Å; C933-D935 VanDerWaalsContact C-N 3.25Å; C933-D935 PolarHBondContact O-N 2.84Å; C933-V938 WeakPolarHBondContact O-CG1 3.48Å; C933-Y939 WeakPolarHBondContact O-CB 3.35Å; C933-Y939 PolarHBondContact O-N 2.94Å; C933-Y939 VanDerWaalsContact O-N 3.15Å; C933-L943 HydrophobicContact CB-CD1 3.28Å; C933-L943 WeakPolarHBondContact O-CD1 3.09Å; C933-C949 VanDerWaalsContact CA-SG 3.53Å; C933-C949 HydrophobicContact CB-CB 3.84Å; C933-C949 WeakPolarHBondContact CB-SG 3.46Å; C933-C949 WeakPolarHBondContact SG-CB 3.12Å; C933-C949 CovalentContact SG-SG 2.04Å; C933-C949 PolarHBondContact SG-SG 3.24Å
934	S	84.1	Confident	83.4	Confident	41 Å²	41	50.4 Å²	50.4	29%	0.287	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	10.3	176.3	-59.6	0	0	0	0	114.4	Q930 G940	Q930-S934 PolarHBondContact NE2-OG 3.34Å; Q930-S934 VanDerWaalsContact O-CB 3.28Å; Q930-S934 WeakPolarHBondContact O-CB 3.02Å; Q930-S934 PolarHBondContact O-N 2.63Å; Q930-S934 PolarHBondContact O-OG 2.82Å; S934-G940 VanDerWaalsContact CA-O 3.25Å; S934-G940 WeakPolarHBondContact CA-O 3.39Å; S934-G940 WeakPolarHBondContact CB-O 3.33Å
935	D	80.9	Confident	83.3	Confident	67 Å²	67	53.6 Å²	53.6	36%	0.358	28%	0.283	S	S	.	.	S	Bend	trans	-63.9	135	167.2	-167.3	-72	0	0	0	108.4	K931 T932 C933 L937 V938 Y939 G940	K931-D935 PolarHBondContact O-N 2.97Å; T932-D935 WeakPolarHBondContact O-CB 3.05Å; T932-D935 PolarHBondContact O-N 2.96Å; C933-D935 VanDerWaalsContact C-N 3.25Å; C933-D935 PolarHBondContact O-N 2.84Å; D935-L937 PolarHBondContact O-N 2.95Å; D935-L937 VanDerWaalsContact OD1-CB 3.32Å; D935-L937 WeakPolarHBondContact OD1-CB 3.44Å; D935-L937 PolarHBondContact OD1-N 3.38Å; D935-V938 HydrophobicContact CB-CB 4.32Å; D935-V938 HydrophobicContact CB-CG2 4.14Å; D935-V938 WeakPolarHBondContact O-CA 3Å; D935-V938 PolarHBondContact O-N 3.13Å; D935-Y939 PolarHBondContact O-N 3.37Å; D935-Y939 VanDerWaalsContact O-N 3.13Å; D935-G940 PolarHBondContact O-N 2.97Å
936	P	72.9	Confident	83.3	Confident	60 Å²	60	56.5 Å²	56.5	39%	0.39	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.3	178.2	-27.6	35.9	0	0	0	113.1	D73 V938	D73-P936 HydrophobicContact CB-CB 4.15Å; D73-P936 WeakPolarHBondContact OD2-CB 3.48Å; P936-V938 PolarHBondContact O-N 2.96Å
937	L	68.3	Low	83.3	Confident	108 Å²	108	55.8 Å²	55.8	57%	0.565	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.8	176.9	-64.3	175.8	0	0	0	113.7	D935 Y992 R993	D935-L937 PolarHBondContact O-N 2.95Å; D935-L937 VanDerWaalsContact OD1-CB 3.32Å; D935-L937 WeakPolarHBondContact OD1-CB 3.44Å; D935-L937 PolarHBondContact OD1-N 3.38Å; L937-Y992 WeakPolarHBondContact O-CB 3.38Å; L937-R993 PolarHBondContact O-NH1 2.72Å; L937-R993 PolarHBondContact O-NH2 3.37Å; L937-R993 VanDerWaalsContact O-NH2 3.1Å
938	V	78.3	Confident	83.3	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.024	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-76.6	-177.8	177.4	0	0	0	0	110.7	T932 C933 D935 P936 L953 Y992 R993 P994	T932-V938 WeakPolarHBondContact O-CB 3.37Å; T932-V938 WeakPolarHBondContact O-CG2 3.39Å; C933-V938 WeakPolarHBondContact O-CG1 3.48Å; D935-V938 HydrophobicContact CB-CB 4.32Å; D935-V938 HydrophobicContact CB-CG2 4.14Å; D935-V938 WeakPolarHBondContact O-CA 3Å; D935-V938 PolarHBondContact O-N 3.13Å; P936-V938 PolarHBondContact O-N 2.96Å; V938-L953 HydrophobicContact CG1-CD2 4.49Å; V938-L953 HydrophobicContact CG2-CD2 3.85Å; V938-Y992 WeakPolarHBondContact CA-O 3.45Å; V938-Y992 WeakPolarHBondContact CG1-O 3.37Å; V938-R993 WeakPolarHBondContact O-CD 3.26Å; V938-R993 PolarHBondContact O-NE 3.38Å; V938-R993 PolarHBondContact O-NH1 3.19Å; V938-P994 HydrophobicContact CG1-CG 4.16Å
939	Y	84.3	Confident	83.4	Confident	11 Å²	11	54.3 Å²	54.3	4%	0.043	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-8.2	174.8	-70.2	-57.7	0	0	0	114.3	C933 D935 N941 L942 L943 C949 W984 D986 P994 V996	C933-Y939 WeakPolarHBondContact O-CB 3.35Å; C933-Y939 PolarHBondContact O-N 2.94Å; C933-Y939 VanDerWaalsContact O-N 3.15Å; D935-Y939 PolarHBondContact O-N 3.37Å; D935-Y939 VanDerWaalsContact O-N 3.13Å; Y939-N941 PolarHBondContact O-N 3.37Å; Y939-L942 WeakPolarHBondContact O-CB 3.33Å; Y939-L942 WeakPolarHBondContact O-CG 3.38Å; Y939-L942 PolarHBondContact O-N 2.03Å; Y939-L942 VanDerWaalsContact O-N 3.13Å; Y939-L943 HydrophobicContact CD2-CD1 4.35Å; Y939-L943 HydrophobicContact CD2-CD2 4.35Å; Y939-C949 HydrophobicContact CE2-CB 4.45Å; Y939-W984 AromaticContact CD1-CH2 3.75Å; Y939-W984 HydrophobicContact CD1-CH2 3.75Å; Y939-W984 AromaticContact CD1-CZ3 3.83Å; Y939-W984 HydrophobicContact CD1-CZ3 3.83Å; Y939-W984 AromaticContact CE1-CH2 3.95Å; Y939-W984 HydrophobicContact CE1-CH2 3.95Å; Y939-W984 AromaticContact CE1-CZ3 3.59Å; Y939-W984 HydrophobicContact CE1-CZ3 3.59Å; Y939-W984 HydrophobicContact CG-CH2 4.16Å; Y939-D986 HydrophobicContact CE1-CB 4.1Å; Y939-D986 PolarHBondContact OH-N 2.71Å; Y939-P994 HydrophobicContact CE2-CG 4.07Å; Y939-P994 WeakPolarHBondContact CE2-O 3.38Å; Y939-P994 VanDerWaalsContact CZ-O 3.3Å; Y939-P994 PolarHBondContact OH-O 2.82Å; Y939-V996 HydrophobicContact CD2-CG2 3.95Å; Y939-V996 HydrophobicContact CE2-CG2 3.42Å; Y939-V996 VanDerWaalsContact CE2-CG2 3.42Å
940	G	79.6	Confident	83.5	Confident	9 Å²	9	52.8 Å²	52.8	9%	0.093	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	52.2	-121.7	-177.2	0	0	0	0	0	112.4	S934 D935	S934-G940 VanDerWaalsContact CA-O 3.25Å; S934-G940 WeakPolarHBondContact CA-O 3.39Å; S934-G940 WeakPolarHBondContact CB-O 3.33Å; D935-G940 PolarHBondContact O-N 2.97Å
941	N	78.9	Confident	83.7	Confident	133 Å²	133	49 Å²	49	71%	0.711	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-91.5	11.5	-175.6	-63	-2.8	0	0	0	114.2	Y939 L943	Y939-N941 PolarHBondContact O-N 3.37Å; N941-L943 VanDerWaalsContact C-N 3.27Å; N941-L943 PolarHBondContact O-N 3.35Å
942	L	79.3	Confident	83.6	Confident	93 Å²	93	43.5 Å²	43.5	49%	0.487	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-78.2	-6.8	-179.2	-67.5	173.7	0	0	0	114.4	Y939 W984	Y939-L942 WeakPolarHBondContact O-CB 3.33Å; Y939-L942 WeakPolarHBondContact O-CG 3.38Å; Y939-L942 PolarHBondContact O-N 2.03Å; Y939-L942 VanDerWaalsContact O-N 3.13Å; L942-W984 HydrophobicContact CB-CH2 3.93Å; L942-W984 HydrophobicContact CB-CZ2 4.38Å; L942-W984 HydrophobicContact CD1-CH2 4.44Å
943	L	80.3	Confident	83.1	Confident	20 Å²	20	43.8 Å²	43.8	11%	0.105	23%	0.23	C	C	.	.			trans	-96.5	126.7	-177.1	-65.6	158.4	0	0	0	110.8	C933 Y939 N941 W984 V996	C933-L943 HydrophobicContact CB-CD1 3.28Å; C933-L943 WeakPolarHBondContact O-CD1 3.09Å; Y939-L943 HydrophobicContact CD2-CD1 4.35Å; Y939-L943 HydrophobicContact CD2-CD2 4.35Å; N941-L943 VanDerWaalsContact C-N 3.27Å; N941-L943 PolarHBondContact O-N 3.35Å; L943-W984 HydrophobicContact CD2-CZ2 4.29Å; L943-V996 HydrophobicContact CD2-CB 4.47Å; L943-V996 HydrophobicContact CD2-CG1 3.65Å; L943-V996 HydrophobicContact CD2-CG2 3.91Å
944	T	80.9	Confident	82.5	Confident	38 Å²	38	47.2 Å²	47.2	23%	0.233	25%	0.247	C	C	.	.			trans	-84.2	159.7	172.6	54.1	0	0	0	0	111	L863 K864 H946 T947	L863-T944 WeakPolarHBondContact O-CG2 3.09Å; L863-T944 PolarHBondContact O-OG1 2.9Å; K864-T944 HydrophobicContact CB-CG2 4.08Å; K864-T944 HydrophobicContact CG-CG2 4.34Å; T944-H946 PolarHBondContact O-N 2.87Å; T944-T947 PolarHBondContact N-OG1 2.9Å; T944-T947 PolarHBondContact O-N 3.31Å; T944-T947 PolarHBondContact O-OG1 3.31Å; T944-T947 VanDerWaalsContact OG1-CG2 3.25Å; T944-T947 WeakPolarHBondContact OG1-CG2 3.3Å; T944-T947 PolarHBondContact OG1-OG1 3.14Å
945	E	83.4	Confident	81.8	Confident	159 Å²	159	45.4 Å²	45.4	74%	0.743	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.1	-179	62.3	-164.4	139.9	0	0	113.6	T947	E945-T947 VanDerWaalsContact C-N 3.27Å; E945-T947 PolarHBondContact O-N 3.48Å
946	H	89.6	Confident	81	Confident	60 Å²	60	47.9 Å²	47.9	28%	0.278	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	11.5	176.7	-55.6	-45.7	0	0	0	115	D865 T944 R999 D1002 Y1003	D865-H946 IonicContact OD1-CD2 3.56Å; T944-H946 PolarHBondContact O-N 2.87Å; H946-R999 VanDerWaalsContact O-CB 3.26Å; H946-R999 WeakPolarHBondContact O-CB 3.45Å; H946-R999 PolarHBondContact O-N 2.92Å; H946-D1002 WeakPolarHBondContact CA-OD2 3.19Å; H946-D1002 IonicContact CG-OD2 3.69Å; H946-D1002 IonicContact ND1-OD2 3.28Å; H946-D1002 PolarHBondContact ND1-OD2 2.81Å; H946-Y1003 HydrophobicContact CB-CE2 4.07Å; H946-Y1003 WeakPolarHBondContact CB-OH 3.49Å
947	T	92.4	Very high	80.7	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	161.3	174.2	60.9	0	0	0	0	111.7	T944 E945 V996 Y997 R999	T944-T947 PolarHBondContact N-OG1 2.9Å; T944-T947 PolarHBondContact O-N 3.31Å; T944-T947 PolarHBondContact O-OG1 3.31Å; T944-T947 VanDerWaalsContact OG1-CG2 3.25Å; T944-T947 WeakPolarHBondContact OG1-CG2 3.3Å; T944-T947 PolarHBondContact OG1-OG1 3.14Å; E945-T947 VanDerWaalsContact C-N 3.27Å; E945-T947 PolarHBondContact O-N 3.48Å; T947-V996 HydrophobicContact CG2-CG1 4.25Å; T947-Y997 WeakPolarHBondContact CA-O 3.28Å; T947-R999 PolarHBondContact O-NH2 3.1Å
948	F	93.7	Very high	80.8	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.2	165.9	66.9	-80.1	0	0	0	109.7	Y898 I927 A950 F968 Y997 R999	Y898-F948 HydrophobicContact CD1-CD1 4.03Å; Y898-F948 AromaticContact CD1-CE1 3.99Å; Y898-F948 HydrophobicContact CD1-CE1 3.99Å; Y898-F948 HydrophobicContact CD1-CE2 4.47Å; Y898-F948 HydrophobicContact CD1-CG 4.28Å; Y898-F948 HydrophobicContact CD1-CZ 4.21Å; Y898-F948 HydrophobicContact CE1-CD1 4.03Å; Y898-F948 AromaticContact CE1-CE1 3.66Å; Y898-F948 HydrophobicContact CE1-CE1 3.66Å; Y898-F948 HydrophobicContact CE1-CZ 4.04Å; I927-F948 HydrophobicContact CG1-CD2 4.41Å; I927-F948 HydrophobicContact CG1-CE2 4.16Å; I927-F948 HydrophobicContact CG2-CD2 4.18Å; F948-A950 HydrophobicContact CD2-CB 4.44Å; F948-A950 HydrophobicContact CE2-CB 4.24Å; F948-F968 AromaticContact CE2-CD1 3.97Å; F948-F968 HydrophobicContact CE2-CD1 3.97Å; F948-F968 AromaticContact CE2-CE1 3.63Å; F948-F968 HydrophobicContact CE2-CE1 3.63Å; F948-F968 HydrophobicContact CE2-CE2 4.24Å; F948-F968 HydrophobicContact CE2-CG 4.4Å; F948-F968 AromaticContact CE2-CZ 3.8Å; F948-F968 HydrophobicContact CE2-CZ 3.8Å; F948-F968 AromaticContact CZ-CD1 3.69Å; F948-F968 HydrophobicContact CZ-CD1 3.69Å; F948-F968 AromaticContact CZ-CE1 3.82Å; F948-F968 HydrophobicContact CZ-CE1 3.82Å; F948-F968 HydrophobicContact CZ-CG 4.12Å; F948-F968 HydrophobicContact CZ-CZ 4.38Å; F948-Y997 WeakPolarHBondContact CD1-O 3.3Å; F948-Y997 HydrophobicContact CD2-CD2 4.48Å; F948-Y997 HydrophobicContact CE2-CD2 4.11Å; F948-Y997 HydrophobicContact CE2-CG 4.27Å; F948-Y997 HydrophobicContact CZ-CD2 4.48Å; F948-Y997 HydrophobicContact CZ-CG 4.17Å; F948-Y997 PolarHBondContact N-O 3.29Å; F948-Y997 PolarHBondContact O-N 2.82Å; F948-R999 HydrophobicContact CD1-CB 4.02Å; F948-R999 HydrophobicContact CD1-CG 4.08Å; F948-R999 HydrophobicContact CE1-CB 4.41Å; F948-R999 HydrophobicContact CE1-CG 4.41Å
949	C	93	Very high	80.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	148.2	172.6	88.6	0	0	0	0	111.4	L928 C933 Y939 P994 G995 V996	L928-C949 PolarHBondContact N-O 3.35Å; C933-C949 VanDerWaalsContact CA-SG 3.53Å; C933-C949 HydrophobicContact CB-CB 3.84Å; C933-C949 WeakPolarHBondContact CB-SG 3.46Å; C933-C949 WeakPolarHBondContact SG-CB 3.12Å; C933-C949 CovalentContact SG-SG 2.04Å; C933-C949 PolarHBondContact SG-SG 3.24Å; Y939-C949 HydrophobicContact CE2-CB 4.45Å; C949-P994 HydrophobicContact CB-CG 4.05Å; C949-G995 CarbonylContact C-O 3.58Å; C949-G995 VanDerWaalsContact CA-O 3.24Å; C949-G995 WeakPolarHBondContact CA-O 3.21Å; C949-G995 WeakPolarHBondContact CB-O 3.31Å; C949-V996 HydrophobicContact CB-CG2 4.29Å
950	A	92.8	Very high	80.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	145.1	179	0	0	0	0	0	110.7	I925 P926 F948 F968 G995 Y997	I925-A950 HydrophobicContact CD1-CB 4.16Å; P926-A950 CarbonylContact O-C 3.56Å; P926-A950 WeakPolarHBondContact O-CA 3.39Å; P926-A950 VanDerWaalsContact O-CB 3.31Å; P926-A950 WeakPolarHBondContact O-CB 3.18Å; F948-A950 HydrophobicContact CD2-CB 4.44Å; F948-A950 HydrophobicContact CE2-CB 4.24Å; A950-F968 HydrophobicContact CB-CD2 4.45Å; A950-F968 HydrophobicContact CB-CE2 3.39Å; A950-F968 HydrophobicContact CB-CZ 3.63Å; A950-G995 PolarHBondContact N-O 3.16Å; A950-G995 PolarHBondContact O-N 2.99Å; A950-Y997 HydrophobicContact CB-CD2 3.96Å; A950-Y997 HydrophobicContact CB-CE2 3.61Å
951	G	88.2	Confident	80.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	136.9	-168.7	-169.9	0	0	0	0	0	112.2	P926	P926-G951 WeakPolarHBondContact CG-O 3.22Å; P926-G951 PolarHBondContact O-N 3.35Å
952	Y	81.9	Confident	80.4	Confident	65 Å²	65	43.6 Å²	43.6	26%	0.255	21%	0.214	S	C	.	.			trans	-111.4	133.8	178.9	-57.9	-90.6	0	0	0	110	E924 I925 P926 Q954 G955 V957	E924-Y952 PolarHBondContact O-OH 3.11Å; E924-Y952 VanDerWaalsContact O-OH 3.12Å; I925-Y952 HydrophobicContact CG2-CD2 4.43Å; I925-Y952 HydrophobicContact CG2-CE2 4Å; P926-Y952 HydrophobicContact CG-CD1 4.3Å; P926-Y952 HydrophobicContact CG-CE1 4.01Å; Y952-Q954 PolarHBondContact O-N 3.42Å; Y952-Q954 VanDerWaalsContact O-N 3.15Å; Y952-G955 WeakPolarHBondContact O-CA 3.11Å; Y952-G955 PolarHBondContact O-N 2.68Å; Y952-V957 HydrophobicContact CD2-CB 3.8Å; Y952-V957 HydrophobicContact CD2-CG2 4.07Å; Y952-V957 HydrophobicContact CE2-CB 3.9Å; Y952-V957 HydrophobicContact CE2-CG1 4.42Å; Y952-V957 HydrophobicContact CE2-CG2 4.04Å
953	L	77.2	Confident	80.7	Confident	46 Å²	46	39.3 Å²	39.3	24%	0.241	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.8	177.5	-63.4	-178.2	0	0	0	113.2	L928 T932 V938 G955 Q991 Y992	L928-L953 HydrophobicContact CD1-CD2 4.03Å; T932-L953 HydrophobicContact CG2-CD1 3.72Å; T932-L953 HydrophobicContact CG2-CD2 4.03Å; T932-L953 HydrophobicContact CG2-CG 4.25Å; V938-L953 HydrophobicContact CG1-CD2 4.49Å; V938-L953 HydrophobicContact CG2-CD2 3.85Å; L953-G955 PolarHBondContact O-N 3.05Å; L953-Q991 WeakPolarHBondContact O-CG 3.25Å; L953-Y992 HydrophobicContact CB-CD1 4.09Å; L953-Y992 HydrophobicContact CB-CE1 4.42Å; L953-Y992 PolarHBondContact O-N 2.92Å
954	Q	71.8	Confident	81.2	Confident	73 Å²	73	39.3 Å²	39.3	34%	0.341	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-8.7	170.5	-60.9	79.3	10.5	0	0	112.5	Y952	Y952-Q954 PolarHBondContact O-N 3.42Å; Y952-Q954 VanDerWaalsContact O-N 3.15Å
955	G	70.9	Confident	81.8	Confident	3 Å²	3	37.5 Å²	37.5	3%	0.031	18%	0.182	C	C	.	.			trans	76.1	-136.4	-167.3	0	0	0	0	0	110.7	Y952 L953 V957 A989 Q990	Y952-G955 WeakPolarHBondContact O-CA 3.11Å; Y952-G955 PolarHBondContact O-N 2.68Å; L953-G955 PolarHBondContact O-N 3.05Å; G955-V957 PolarHBondContact O-N 3.42Å; G955-A989 CarbonylContact C-O 3.58Å; G955-A989 VanDerWaalsContact CA-O 3.23Å; G955-A989 WeakPolarHBondContact CA-O 3.37Å; G955-Q990 WeakPolarHBondContact CA-O 3.28Å
956	H	62.4	Low	82.3	Confident	119 Å²	119	29.9 Å²	29.9	55%	0.551	15%	0.146	S	C	*	.	S	Bend	trans	67.1	-37.3	178	-49.7	-58.1	0	0	0	117.2	V778 G779 A989	V778-H956 CarbonylContact C-O 3.59Å; V778-H956 VanDerWaalsContact C-O 3.28Å; G779-H956 VanDerWaalsContact CA-O 3.24Å; G779-H956 WeakPolarHBondContact CA-O 3.4Å; G779-H956 PolarHBondContact N-O 3.17Å; H956-A989 PolarHBondContact N-O 3.07Å; H956-A989 VanDerWaalsContact N-O 3.07Å
957	V	68.1	Low	82.7	Confident	28 Å²	28	27 Å²	27	17%	0.17	13%	0.133	C	C	.	.	S	Bend	trans	-127.5	117.7	178.6	-165.4	0	0	0	0	110.9	V778 A923 I925 Y952 G955	V778-V957 VanDerWaalsContact O-CA 3.26Å; V778-V957 WeakPolarHBondContact O-CA 3.46Å; A923-V957 HydrophobicContact CB-CG1 3.59Å; I925-V957 HydrophobicContact CG2-CB 4.28Å; I925-V957 HydrophobicContact CG2-CG1 3.73Å; Y952-V957 HydrophobicContact CD2-CB 3.8Å; Y952-V957 HydrophobicContact CD2-CG2 4.07Å; Y952-V957 HydrophobicContact CE2-CB 3.9Å; Y952-V957 HydrophobicContact CE2-CG1 4.42Å; Y952-V957 HydrophobicContact CE2-CG2 4.04Å; G955-V957 PolarHBondContact O-N 3.42Å
958	D	70.6	Confident	82.9	Confident	2 Å²	2	27 Å²	27	1%	0.011	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-166.6	159.1	-175.5	-162.1	12.2	0	0	0	112.8	V777 V778 A989 G995	V777-D958 VanDerWaalsContact CG1-O 3.25Å; V777-D958 WeakPolarHBondContact CG1-O 3.16Å; V778-D958 PolarHBondContact O-N 2.03Å; D958-A989 VanDerWaalsContact CB-CA 3.49Å; D958-A989 HydrophobicContact CB-CB 3.63Å; D958-A989 VanDerWaalsContact CB-N 3.26Å; D958-A989 PolarHBondContact OD2-N 3.39Å; D958-G995 WeakPolarHBondContact OD1-CA 3.23Å; D958-G995 PolarHBondContact OD1-N 3.32Å
959	S	74.1	Confident	83	Confident	9 Å²	9	26.9 Å²	26.9	6%	0.063	13%	0.132	C	C	.	.			trans	-68.8	161.2	163.7	48.3	0	0	0	0	111.9	Y997	S959-Y997 PolarHBondContact OG-OH 3.3Å
960	C	81	Confident	83	Confident	16 Å²	16	27.1 Å²	27.1	11%	0.108	13%	0.134	C	C	.	.			trans	-146.3	-175.7	178.3	-159.9	0	0	0	0	113.3	S911 G962 D963 C988	S911-C960 WeakPolarHBondContact O-CB 3.34Å; S911-C960 PolarHBondContact O-SG 3.23Å; S911-C960 VanDerWaalsContact O-SG 3.32Å; C960-G962 PolarHBondContact O-N 3.23Å; C960-D963 PolarHBondContact N-OD2 2.9Å; C960-D963 WeakPolarHBondContact O-CB 3.43Å; C960-D963 PolarHBondContact O-N 3.45Å; C960-C988 WeakPolarHBondContact CA-SG 3.32Å; C960-C988 HydrophobicContact CB-CB 3.6Å; C960-C988 WeakPolarHBondContact CB-SG 3.5Å; C960-C988 WeakPolarHBondContact SG-CB 3.39Å; C960-C988 CovalentContact SG-SG 2.04Å; C960-C988 PolarHBondContact SG-SG 2.86Å
961	K	77.2	Confident	82.9	Confident	169 Å²	169	31.9 Å²	31.9	74%	0.735	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	121.6	-179.5	-65.1	-163.1	172.7	-150.7	0	111.5	G910 S911	G910-K961 CarbonylContact C-O 3.53Å; G910-K961 WeakPolarHBondContact CA-O 3.44Å; S911-K961 PolarHBondContact N-O 2.99Å
962	G	78.6	Confident	82.9	Confident	11 Å²	11	34.4 Å²	34.4	11%	0.113	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	-13.2	-174	0	0	0	0	0	114.2	H801 C960	H801-G962 PolarHBondContact NE2-O 2.86Å; C960-G962 PolarHBondContact O-N 3.23Å
963	D	86.8	Confident	83	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.011	20%	0.204	C	C	.	.			trans	-84.7	-16	168.5	-60.2	-51	0	0	0	112.3	G908 W909 G910 C960 G965 G966 I982	G908-D963 VanDerWaalsContact C-OD1 3.29Å; G908-D963 VanDerWaalsContact CA-OD1 3.27Å; G908-D963 WeakPolarHBondContact CA-OD1 3.49Å; W909-D963 PolarHBondContact N-OD1 2.88Å; G910-D963 VanDerWaalsContact CA-CG 3.5Å; G910-D963 VanDerWaalsContact CA-OD1 3.3Å; G910-D963 WeakPolarHBondContact CA-OD1 3.49Å; G910-D963 PolarHBondContact N-OD1 2.69Å; C960-D963 PolarHBondContact N-OD2 2.9Å; C960-D963 WeakPolarHBondContact O-CB 3.43Å; C960-D963 PolarHBondContact O-N 3.45Å; D963-G965 PolarHBondContact O-N 3.15Å; D963-G966 WeakPolarHBondContact O-CA 3.35Å; D963-G966 PolarHBondContact O-N 3.05Å; D963-I982 HydrophobicContact CB-CD1 3.87Å; D963-I982 HydrophobicContact CB-CG2 4.26Å; D963-I982 WeakPolarHBondContact O-CB 3.43Å; D963-I982 WeakPolarHBondContact O-CD1 3.25Å
964	S	90.7	Very high	83.3	Confident	20 Å²	20	39.8 Å²	39.8	14%	0.14	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-39.1	132.1	172.9	-66.8	0	0	0	0	112.7	C803 G804 H818 G966	C803-S964 CarbonylContact C-O 3.52Å; C803-S964 WeakPolarHBondContact CA-O 3.25Å; C803-S964 VanDerWaalsContact CB-O 3.22Å; C803-S964 WeakPolarHBondContact CB-O 3.31Å; G804-S964 PolarHBondContact N-O 3.16Å; H818-S964 PolarHBondContact CE1-OG 3.2Å; H818-S964 WeakPolarHBondContact NE2-CB 3.38Å; H818-S964 PolarHBondContact NE2-OG 3.24Å; S964-G966 PolarHBondContact O-N 2.79Å
965	G	93.6	Very high	84.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-10.4	-175.9	0	0	0	0	0	115.7	G804 A805 S815 A816 D963 I982	G804-G965 CarbonylContact C-O 3.58Å; G804-G965 CarbonylContact O-C 3.54Å; G804-G965 WeakPolarHBondContact O-CA 3.28Å; A805-G965 WeakPolarHBondContact CA-O 3.43Å; S815-G965 WeakPolarHBondContact OG-CA 3.49Å; A816-G965 VanDerWaalsContact N-CA 3.34Å; D963-G965 PolarHBondContact O-N 3.15Å; G965-I982 PolarHBondContact N-O 3.35Å
966	G	94.3	Very high	85.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.			trans	-66.1	170.6	175.4	0	0	0	0	0	113.9	D963 S964 I982	D963-G966 WeakPolarHBondContact O-CA 3.35Å; D963-G966 PolarHBondContact O-N 3.05Å; S964-G966 PolarHBondContact O-N 2.79Å; G966-I982 WeakPolarHBondContact O-CG1 3.32Å; G966-I982 PolarHBondContact O-N 3.35Å
967	P	96.5	Very high	86.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.2	-179.6	29.7	-34.7	0	0	0	113.1	T791 S806 I906 S907 A969 L978	T791-P967 HydrophobicContact CG2-CG 4.49Å; S806-P967 WeakPolarHBondContact OG-CB 3.14Å; I906-P967 WeakPolarHBondContact CA-O 3.42Å; S907-P967 WeakPolarHBondContact OG-CG 3.45Å; P967-A969 HydrophobicContact CB-CB 4.43Å; P967-L978 HydrophobicContact CB-CD1 3.67Å
968	F	96.5	Very high	88.3	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	94.7	151.9	-174.1	-86.1	0	0	0	107.8	C904 I906 I925 I927 F948 A950 H979 G980 Y997	C904-F968 HydrophobicContact CB-CD1 3.89Å; C904-F968 HydrophobicContact CB-CE1 3.36Å; C904-F968 HydrophobicContact CB-CE2 4.31Å; C904-F968 HydrophobicContact CB-CZ 3.6Å; C904-F968 VanDerWaalsContact SG-CE1 3.59Å; I906-F968 HydrophobicContact CG2-CB 4.35Å; I906-F968 HydrophobicContact CG2-CD2 3.58Å; I906-F968 HydrophobicContact CG2-CE2 4.37Å; I906-F968 HydrophobicContact CG2-CG 4.37Å; I925-F968 HydrophobicContact CD1-CD2 4.21Å; I925-F968 HydrophobicContact CD1-CE2 3.74Å; I925-F968 HydrophobicContact CG1-CE2 3.82Å; I927-F968 HydrophobicContact CD1-CE1 4.13Å; I927-F968 HydrophobicContact CD1-CZ 4.5Å; I927-F968 HydrophobicContact CG1-CE1 3.83Å; I927-F968 HydrophobicContact CG1-CZ 3.7Å; F948-F968 AromaticContact CE2-CD1 3.97Å; F948-F968 HydrophobicContact CE2-CD1 3.97Å; F948-F968 AromaticContact CE2-CE1 3.63Å; F948-F968 HydrophobicContact CE2-CE1 3.63Å; F948-F968 HydrophobicContact CE2-CE2 4.24Å; F948-F968 HydrophobicContact CE2-CG 4.4Å; F948-F968 AromaticContact CE2-CZ 3.8Å; F948-F968 HydrophobicContact CE2-CZ 3.8Å; F948-F968 AromaticContact CZ-CD1 3.69Å; F948-F968 HydrophobicContact CZ-CD1 3.69Å; F948-F968 AromaticContact CZ-CE1 3.82Å; F948-F968 HydrophobicContact CZ-CE1 3.82Å; F948-F968 HydrophobicContact CZ-CG 4.12Å; F948-F968 HydrophobicContact CZ-CZ 4.38Å; A950-F968 HydrophobicContact CB-CD2 4.45Å; A950-F968 HydrophobicContact CB-CE2 3.39Å; A950-F968 HydrophobicContact CB-CZ 3.63Å; F968-H979 HydrophobicContact CD1-CB 4.14Å; F968-H979 PolarHBondContact O-N 2.9Å; F968-G980 WeakPolarHBondContact CB-O 3.38Å; F968-G980 PolarHBondContact N-O 2.85Å; F968-G980 PolarHBondContact O-N 3.1Å; F968-Y997 HydrophobicContact CB-CD1 3.93Å; F968-Y997 HydrophobicContact CB-CE1 4.4Å; F968-Y997 AromaticContact CD2-CD1 3.76Å; F968-Y997 HydrophobicContact CD2-CD1 3.76Å; F968-Y997 HydrophobicContact CD2-CD2 4.28Å; F968-Y997 AromaticContact CD2-CE1 3.67Å; F968-Y997 HydrophobicContact CD2-CE1 3.67Å; F968-Y997 HydrophobicContact CD2-CE2 4.23Å; F968-Y997 HydrophobicContact CD2-CG 4.09Å; F968-Y997 AromaticContact CD2-CZ 3.95Å; F968-Y997 HydrophobicContact CE2-CD2 4.47Å; F968-Y997 HydrophobicContact CE2-CE1 4.46Å; F968-Y997 HydrophobicContact CE2-CE2 4.29Å; F968-Y997 HydrophobicContact CG-CD1 4.16Å; F968-Y997 HydrophobicContact CG-CE1 4.46Å; F968-Y997 HydrophobicContact CG-CG 4.46Å
969	A	95.9	Very high	89.5	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.008	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.5	-168.4	0	0	0	0	0	112	I889 C904 T905 P967 Y976 Y977	I889-A969 HydrophobicContact CD1-CB 3.59Å; C904-A969 WeakPolarHBondContact CB-O 3.05Å; T905-A969 PolarHBondContact N-O 3.26Å; T905-A969 PolarHBondContact O-N 2.82Å; P967-A969 HydrophobicContact CB-CB 4.43Å; A969-Y976 HydrophobicContact CB-CD1 4.04Å; A969-Y977 WeakPolarHBondContact CA-O 3.1Å
970	C	94.3	Very high	90.6	Very high	6 Å²	6	34.9 Å²	34.9	4%	0.041	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	136.8	177.8	-61.2	0	0	0	0	111.1	C904 Y976 Y977 H979	C904-C970 HydrophobicContact CB-CB 3.94Å; C904-C970 WeakPolarHBondContact CB-SG 3.46Å; C904-C970 VanDerWaalsContact SG-CA 3.55Å; C904-C970 WeakPolarHBondContact SG-CB 3.36Å; C904-C970 CovalentContact SG-SG 2.03Å; C904-C970 PolarHBondContact SG-SG 2.81Å; C970-Y976 WeakPolarHBondContact O-CA 3.26Å; C970-Y977 PolarHBondContact N-O 3.27Å; C970-Y977 PolarHBondContact O-N 2.83Å; C970-H979 HydrophobicContact CB-CB 4.39Å; C970-H979 VanDerWaalsContact SG-CB 3.55Å
971	L	90.6	Very high	91.4	Very high	100 Å²	100	34.1 Å²	34.1	52%	0.524	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	113.8	176.7	-179.2	64	0	0	0	110.1	Y976	L971-Y976 HydrophobicContact CB-CD1 4.29Å; L971-Y976 HydrophobicContact CB-CE1 4.04Å; L971-Y976 HydrophobicContact CD1-CD2 3.9Å; L971-Y976 HydrophobicContact CD1-CE2 3.81Å; L971-Y976 HydrophobicContact CD1-CG 4.34Å
972	V	87.5	Confident	92.2	Very high	53 Å²	53	26.4 Å²	26.4	32%	0.321	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.6	178.8	-173.7	0	0	0	0	108.6	G974 K975 Y977	V972-G974 PolarHBondContact O-N 2.96Å; V972-K975 PolarHBondContact N-O 2.95Å; V972-K975 PolarHBondContact O-N 3.47Å; V972-Y977 HydrophobicContact CB-CD2 3.77Å; V972-Y977 HydrophobicContact CB-CE2 3.89Å; V972-Y977 HydrophobicContact CG2-CD2 4.14Å
973	N	84.4	Confident	92.9	Very high	163 Å²	163	26.1 Å²	26.1	87%	0.872	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	35.2	178.3	-60.2	-20	0	0	0	114.7
974	G	83.4	Confident	93	Very high	61 Å²	61	27.6 Å²	27.6	63%	0.629	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	2.5	179.3	0	0	0	0	0	115.8	V972	V972-G974 PolarHBondContact O-N 2.96Å
975	K	90.5	Very high	92.4	Very high	48 Å²	48	28 Å²	28	21%	0.209	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.5	172.1	-72.5	-172.8	168	-147.6	0	111.3	D756 C757 G758 V972 Y977	D756-K975 IonicContact OD1-NZ 2.73Å; D756-K975 PolarHBondContact OD1-NZ 2.83Å; C757-K975 WeakPolarHBondContact O-CD 2.98Å; C757-K975 WeakPolarHBondContact O-CE 3.28Å; C757-K975 PolarHBondContact O-NZ 3.06Å; C757-K975 VanDerWaalsContact O-NZ 3.16Å; G758-K975 WeakPolarHBondContact O-CA 3.03Å; V972-K975 PolarHBondContact N-O 2.95Å; V972-K975 PolarHBondContact O-N 3.47Å; K975-Y977 HydrophobicContact CB-CD2 4.39Å; K975-Y977 HydrophobicContact CB-CE2 3.75Å; K975-Y977 WeakPolarHBondContact O-CD2 3.28Å
976	Y	94.1	Very high	91.4	Very high	38 Å²	38	30.5 Å²	30.5	15%	0.149	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.9	173	-74.7	-93.1	0	0	0	111.5	G758 T760 F788 W790 I889 C890 A969 C970 L971	G758-Y976 VanDerWaalsContact CA-O 3.28Å; G758-Y976 WeakPolarHBondContact CA-O 3.3Å; G758-Y976 PolarHBondContact O-N 2.85Å; T760-Y976 HydrophobicContact CG2-CE2 4.13Å; F788-Y976 HydrophobicContact CE1-CE1 4.5Å; W790-Y976 HydrophobicContact CH2-CD1 4.27Å; W790-Y976 AromaticContact CH2-CD2 3.34Å; W790-Y976 HydrophobicContact CH2-CD2 3.34Å; W790-Y976 HydrophobicContact CH2-CE2 4.04Å; W790-Y976 AromaticContact CH2-CG 3.45Å; W790-Y976 HydrophobicContact CH2-CG 3.45Å; W790-Y976 VanDerWaalsContact CH2-CG 3.45Å; W790-Y976 AromaticContact CZ2-CD1 3.95Å; W790-Y976 HydrophobicContact CZ2-CD1 3.95Å; W790-Y976 AromaticContact CZ2-CD2 3.89Å; W790-Y976 HydrophobicContact CZ2-CD2 3.89Å; W790-Y976 HydrophobicContact CZ2-CE2 4.49Å; W790-Y976 AromaticContact CZ2-CG 3.55Å; W790-Y976 HydrophobicContact CZ2-CG 3.55Å; W790-Y976 HydrophobicContact CZ3-CD2 4.32Å; W790-Y976 HydrophobicContact CZ3-CG 4.47Å; I889-Y976 VanDerWaalsContact CG1-O 3.3Å; I889-Y976 WeakPolarHBondContact CG1-O 3.48Å; C890-Y976 WeakPolarHBondContact CB-O 2.91Å; C890-Y976 PolarHBondContact N-O 3.31Å; C890-Y976 VanDerWaalsContact N-O 3.16Å; A969-Y976 HydrophobicContact CB-CD1 4.04Å; C970-Y976 WeakPolarHBondContact O-CA 3.26Å; L971-Y976 HydrophobicContact CB-CD1 4.29Å; L971-Y976 HydrophobicContact CB-CE1 4.04Å; L971-Y976 HydrophobicContact CD1-CD2 3.9Å; L971-Y976 HydrophobicContact CD1-CE2 3.81Å; L971-Y976 HydrophobicContact CD1-CG 4.34Å
977	Y	96.3	Very high	90.3	Very high	37 Å²	37	32.4 Å²	32.4	15%	0.145	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	139.2	179.9	-70.3	-98.2	0	0	0	110.7	C890 L891 A969 C970 V972 K975 H979	C890-Y977 HydrophobicContact CB-CD1 3.42Å; C890-Y977 VanDerWaalsContact CB-CD1 3.42Å; C890-Y977 HydrophobicContact CB-CD2 4.49Å; C890-Y977 HydrophobicContact CB-CE1 3.53Å; C890-Y977 HydrophobicContact CB-CG 3.96Å; C890-Y977 CarbonylContact O-C 3.01Å; C890-Y977 VanDerWaalsContact O-CA 3.31Å; C890-Y977 WeakPolarHBondContact O-CA 3.39Å; L891-Y977 VanDerWaalsContact O-CD1 3.29Å; L891-Y977 WeakPolarHBondContact O-CD1 3.39Å; A969-Y977 WeakPolarHBondContact CA-O 3.1Å; C970-Y977 PolarHBondContact N-O 3.27Å; C970-Y977 PolarHBondContact O-N 2.83Å; V972-Y977 HydrophobicContact CB-CD2 3.77Å; V972-Y977 HydrophobicContact CB-CE2 3.89Å; V972-Y977 HydrophobicContact CG2-CD2 4.14Å; K975-Y977 HydrophobicContact CB-CD2 4.39Å; K975-Y977 HydrophobicContact CB-CE2 3.75Å; K975-Y977 WeakPolarHBondContact O-CD2 3.28Å; Y977-H979 PolarHBondContact O-N 3.41Å
978	L	97	Very high	89.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	85.1	178.8	-172.7	66.5	0	0	0	110.5	S806 V808 I814 I889 C890 P892 P967 G980 V1000	S806-L978 WeakPolarHBondContact OG-CD1 3.4Å; V808-L978 HydrophobicContact CG1-CD2 4.38Å; I814-L978 HydrophobicContact CB-CD2 4.15Å; I814-L978 HydrophobicContact CD1-CD2 4.16Å; I814-L978 HydrophobicContact CG2-CD2 4.32Å; I889-L978 HydrophobicContact CD1-CB 3.99Å; I889-L978 HydrophobicContact CD1-CD1 4.33Å; I889-L978 HydrophobicContact CG1-CB 4.3Å; I889-L978 HydrophobicContact CG2-CB 3.82Å; I889-L978 HydrophobicContact CG2-CD2 4.32Å; I889-L978 HydrophobicContact CG2-CG 4.44Å; C890-L978 PolarHBondContact O-N 3.05Å; P892-L978 VanDerWaalsContact CD-O 3.24Å; P892-L978 WeakPolarHBondContact CD-O 3.49Å; P892-L978 WeakPolarHBondContact CG-O 3.39Å; P967-L978 HydrophobicContact CB-CD1 3.67Å; L978-G980 WeakPolarHBondContact CD1-O 3.17Å; L978-V1000 HydrophobicContact CD2-CG2 4.44Å; L978-V1000 HydrophobicContact CG-CG2 4.21Å; L978-V1000 VanDerWaalsContact O-CB 3.31Å; L978-V1000 WeakPolarHBondContact O-CB 3.36Å; L978-V1000 WeakPolarHBondContact O-CG1 3.06Å
979	H	96.5	Very high	87.9	Confident	8 Å²	8	34.9 Å²	34.9	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-28.4	179.4	-81.9	-135.2	0	0	0	112.3	S897 Y898 F968 C970 Y977 V1000	S897-H979 PolarHBondContact O-CE1 3.03Å; S897-H979 PolarHBondContact O-ND1 3.09Å; Y898-H979 HydrophobicContact CE1-CB 3.81Å; Y898-H979 VanDerWaalsContact CE1-O 3.29Å; Y898-H979 WeakPolarHBondContact CE1-O 3.34Å; Y898-H979 AromaticContact CE2-ND1 3.98Å; Y898-H979 AromaticContact CZ-ND1 3.83Å; Y898-H979 PolarHBondContact OH-O 3.4Å; F968-H979 HydrophobicContact CD1-CB 4.14Å; F968-H979 PolarHBondContact O-N 2.9Å; C970-H979 HydrophobicContact CB-CB 4.39Å; C970-H979 VanDerWaalsContact SG-CB 3.55Å; Y977-H979 PolarHBondContact O-N 3.41Å; H979-V1000 PolarHBondContact O-N 3.08Å
980	G	96.8	Very high	86.6	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160.8	179.5	0	0	0	0	0	114.1	F968 L978 T998	F968-G980 WeakPolarHBondContact CB-O 3.38Å; F968-G980 PolarHBondContact N-O 2.85Å; F968-G980 PolarHBondContact O-N 3.1Å; L978-G980 WeakPolarHBondContact CD1-O 3.17Å; G980-T998 VanDerWaalsContact CA-O 3.23Å; G980-T998 WeakPolarHBondContact CA-O 3.02Å
981	V	97	Very high	85.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.4	167	179	0	0	0	0	107.9	I814 A816 I867 S983 Y997 T998 V1000	I814-V981 HydrophobicContact CG2-CG2 3.74Å; A816-V981 HydrophobicContact CB-CG1 4.04Å; I867-V981 HydrophobicContact CD1-CG2 4.17Å; I867-V981 HydrophobicContact CG1-CG2 4.32Å; V981-S983 PolarHBondContact O-N 3.31Å; V981-Y997 CarbonylContact O-C 3.52Å; V981-Y997 WeakPolarHBondContact O-CA 3.21Å; V981-Y997 WeakPolarHBondContact O-CB 3.1Å; V981-T998 PolarHBondContact N-O 3.07Å; V981-T998 PolarHBondContact O-N 2.68Å; V981-V1000 HydrophobicContact CG2-CG2 3.77Å
982	I	95.4	Very high	85.1	Confident	6 Å²	6	40.1 Å²	40.1	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	117.5	176.6	-54.8	-175.5	0	0	0	108.8	I906 D963 G965 G966 Y997	I906-I982 HydrophobicContact CB-CD1 4.12Å; I906-I982 HydrophobicContact CG2-CD1 4.13Å; I906-I982 HydrophobicContact CG2-CG1 4.45Å; D963-I982 HydrophobicContact CB-CD1 3.87Å; D963-I982 HydrophobicContact CB-CG2 4.26Å; D963-I982 WeakPolarHBondContact O-CB 3.43Å; D963-I982 WeakPolarHBondContact O-CD1 3.25Å; G965-I982 PolarHBondContact N-O 3.35Å; G966-I982 WeakPolarHBondContact O-CG1 3.32Å; G966-I982 PolarHBondContact O-N 3.35Å; I982-Y997 HydrophobicContact CB-CD1 4.41Å; I982-Y997 HydrophobicContact CB-CE1 4.38Å; I982-Y997 HydrophobicContact CG1-CD1 4.08Å; I982-Y997 HydrophobicContact CG1-CE1 3.86Å; I982-Y997 HydrophobicContact CG2-CE1 4.42Å
983	S	93.1	Very high	84.8	Confident	6 Å²	6	38.4 Å²	38.4	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-76.2	-172.5	175.6	0	0	0	0	111.8	H818 I862 D866 V981 V996	H818-S983 PolarHBondContact CE1-O 2.68Å; I862-S983 PolarHBondContact O-OG 3.05Å; D866-S983 WeakPolarHBondContact CB-OG 3.39Å; D866-S983 WeakPolarHBondContact OD2-CA 3.48Å; D866-S983 VanDerWaalsContact OD2-CB 3.29Å; D866-S983 WeakPolarHBondContact OD2-CB 3.43Å; D866-S983 PolarHBondContact OD2-OG 2.92Å; V981-S983 PolarHBondContact O-N 3.31Å; S983-V996 PolarHBondContact N-O 2.84Å
984	W	88.5	Confident	85	Confident	32 Å²	32	30.7 Å²	30.7	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	172.3	-174.4	69.3	-88.6	0	0	0	114	I862 L863 Y939 L942 L943 V996	I862-W984 HydrophobicContact CB-CB 4.48Å; I862-W984 HydrophobicContact CD1-CB 4.24Å; L863-W984 HydrophobicContact CD2-CD2 3.78Å; L863-W984 VanDerWaalsContact CD2-CE2 3.48Å; L863-W984 HydrophobicContact CD2-CE3 4.14Å; L863-W984 HydrophobicContact CD2-CG 4.34Å; L863-W984 HydrophobicContact CD2-CH2 4.01Å; L863-W984 HydrophobicContact CD2-CZ2 3.62Å; L863-W984 HydrophobicContact CD2-CZ3 4.25Å; Y939-W984 AromaticContact CD1-CH2 3.75Å; Y939-W984 HydrophobicContact CD1-CH2 3.75Å; Y939-W984 AromaticContact CD1-CZ3 3.83Å; Y939-W984 HydrophobicContact CD1-CZ3 3.83Å; Y939-W984 AromaticContact CE1-CH2 3.95Å; Y939-W984 HydrophobicContact CE1-CH2 3.95Å; Y939-W984 AromaticContact CE1-CZ3 3.59Å; Y939-W984 HydrophobicContact CE1-CZ3 3.59Å; Y939-W984 HydrophobicContact CG-CH2 4.16Å; L942-W984 HydrophobicContact CB-CH2 3.93Å; L942-W984 HydrophobicContact CB-CZ2 4.38Å; L942-W984 HydrophobicContact CD1-CH2 4.44Å; L943-W984 HydrophobicContact CD2-CZ2 4.29Å; W984-V996 HydrophobicContact CD2-CB 4.04Å; W984-V996 HydrophobicContact CD2-CG1 4.49Å; W984-V996 HydrophobicContact CD2-CG2 4.12Å; W984-V996 HydrophobicContact CE3-CG2 4.35Å; W984-V996 HydrophobicContact CG-CB 4.2Å; W984-V996 HydrophobicContact CH2-CG2 4.16Å; W984-V996 HydrophobicContact CZ2-CB 4.29Å; W984-V996 HydrophobicContact CZ2-CG1 4.13Å; W984-V996 HydrophobicContact CZ2-CG2 3.92Å; W984-V996 HydrophobicContact CZ3-CG2 4.37Å; W984-V996 PolarHBondContact N-O 3.07Å; W984-V996 WeakPolarHBondContact O-CA 3.3Å; W984-V996 WeakPolarHBondContact O-CB 3.37Å; W984-V996 PolarHBondContact O-N 2.98Å
985	G	79.3	Confident	85.3	Confident	29 Å²	29	27.9 Å²	27.9	30%	0.299	15%	0.15	S	C	.	.			trans	-173.8	154	174.5	0	0	0	0	0	111.1	G987	G985-G987 VanDerWaalsContact C-N 3.31Å; G985-G987 PolarHBondContact O-N 3.48Å
986	D	71	Confident	85.5	Confident	52 Å²	52	25.6 Å²	25.6	28%	0.278	14%	0.14	S	C	.	.	S	Bend	trans	-80.1	82.5	176.2	-175.4	7	0	0	0	110.2	Q46 Y939 Q990 R993	Q46-D986 WeakPolarHBondContact CG-OD2 3.06Å; Q46-D986 PolarHBondContact NE2-OD2 3.39Å; Y939-D986 HydrophobicContact CE1-CB 4.1Å; Y939-D986 PolarHBondContact OH-N 2.71Å; D986-Q990 PolarHBondContact O-NE2 2.91Å; D986-R993 HydrophobicContact CB-CB 4.13Å; D986-R993 HydrophobicContact CB-CG 3.78Å; D986-R993 IonicContact OD2-NE 3.44Å; D986-R993 PolarHBondContact OD2-NE 2.78Å
987	G	72.5	Confident	85.5	Confident	40 Å²	40	23.8 Å²	23.8	41%	0.412	13%	0.133	S	C	.	.	S	Bend	trans	75.7	-150.9	-167.5	0	0	0	0	0	111.7	G985	G985-G987 VanDerWaalsContact C-N 3.31Å; G985-G987 PolarHBondContact O-N 3.48Å
988	C	74.1	Confident	85.5	Confident	36 Å²	36	22 Å²	22	24%	0.243	13%	0.126	C	C	.	.	S	Bend	trans	-136.1	129.4	-177.4	-42.5	0	0	0	0	109.3	V778 C960 Q990	V778-C988 HydrophobicContact CG2-CB 4.4Å; C960-C988 WeakPolarHBondContact CA-SG 3.32Å; C960-C988 HydrophobicContact CB-CB 3.6Å; C960-C988 WeakPolarHBondContact CB-SG 3.5Å; C960-C988 WeakPolarHBondContact SG-CB 3.39Å; C960-C988 CovalentContact SG-SG 2.04Å; C960-C988 PolarHBondContact SG-SG 2.86Å; C988-Q990 PolarHBondContact O-N 2.83Å; C988-Q990 VanDerWaalsContact O-N 3.12Å
989	A	68.1	Low	85.4	Confident	16 Å²	16	23.6 Å²	23.6	13%	0.132	13%	0.132	C	C	.	.	S	Bend	trans	54.2	29.9	174.5	0	0	0	0	0	114.9	V778 G955 H956 D958	V778-A989 HydrophobicContact CB-CB 3.76Å; V778-A989 HydrophobicContact CG1-CB 3.49Å; V778-A989 VanDerWaalsContact CG1-CB 3.49Å; V778-A989 HydrophobicContact CG2-CB 4.39Å; G955-A989 CarbonylContact C-O 3.58Å; G955-A989 VanDerWaalsContact CA-O 3.23Å; G955-A989 WeakPolarHBondContact CA-O 3.37Å; H956-A989 PolarHBondContact N-O 3.07Å; H956-A989 VanDerWaalsContact N-O 3.07Å; D958-A989 VanDerWaalsContact CB-CA 3.49Å; D958-A989 HydrophobicContact CB-CB 3.63Å; D958-A989 VanDerWaalsContact CB-N 3.26Å; D958-A989 PolarHBondContact OD2-N 3.39Å
990	Q	69	Low	85.4	Confident	51 Å²	51	23.2 Å²	23.2	24%	0.238	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-80.3	153.8	175.2	-56.9	-166.8	74.3	0	0	110.5	G955 D986 C988 Y992 R993	G955-Q990 WeakPolarHBondContact CA-O 3.28Å; D986-Q990 PolarHBondContact O-NE2 2.91Å; C988-Q990 PolarHBondContact O-N 2.83Å; C988-Q990 VanDerWaalsContact O-N 3.12Å; Q990-Y992 PolarHBondContact O-N 3.25Å; Q990-R993 HydrophobicContact CB-CB 4.16Å; Q990-R993 HydrophobicContact CB-CG 4.39Å; Q990-R993 PolarHBondContact O-N 2.69Å; Q990-R993 VanDerWaalsContact O-N 3.11Å
991	Q	72.9	Confident	85.3	Confident	88 Å²	88	26.4 Å²	26.4	41%	0.411	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	133.1	175.6	-161.8	179.3	-13.8	0	0	109.8	L953 R993	L953-Q991 WeakPolarHBondContact O-CG 3.25Å; Q991-R993 PolarHBondContact O-N 3.17Å
992	Y	78.9	Confident	85.2	Confident	79 Å²	79	29.4 Å²	29.4	31%	0.31	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	7.8	-173.7	-50.3	-71.8	0	0	0	116.1	L937 V938 L953 Q990 P994	L937-Y992 WeakPolarHBondContact O-CB 3.38Å; V938-Y992 WeakPolarHBondContact CA-O 3.45Å; V938-Y992 WeakPolarHBondContact CG1-O 3.37Å; L953-Y992 HydrophobicContact CB-CD1 4.09Å; L953-Y992 HydrophobicContact CB-CE1 4.42Å; L953-Y992 PolarHBondContact O-N 2.92Å; Q990-Y992 PolarHBondContact O-N 3.25Å; Y992-P994 VanDerWaalsContact C-CD 3.43Å; Y992-P994 VanDerWaalsContact O-CD 3.24Å; Y992-P994 WeakPolarHBondContact O-CD 3.47Å
993	R	82.5	Confident	85.1	Confident	16 Å²	16	29.9 Å²	29.9	6%	0.06	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-117	78.4	174.2	-56.4	-62.5	171.2	-92.9	11.1	110.5	L937 V938 D986 Q990 Q991	L937-R993 PolarHBondContact O-NH1 2.72Å; L937-R993 PolarHBondContact O-NH2 3.37Å; L937-R993 VanDerWaalsContact O-NH2 3.1Å; V938-R993 WeakPolarHBondContact O-CD 3.26Å; V938-R993 PolarHBondContact O-NE 3.38Å; V938-R993 PolarHBondContact O-NH1 3.19Å; D986-R993 HydrophobicContact CB-CB 4.13Å; D986-R993 HydrophobicContact CB-CG 3.78Å; D986-R993 IonicContact OD2-NE 3.44Å; D986-R993 PolarHBondContact OD2-NE 2.78Å; Q990-R993 HydrophobicContact CB-CB 4.16Å; Q990-R993 HydrophobicContact CB-CG 4.39Å; Q990-R993 PolarHBondContact O-N 2.69Å; Q990-R993 VanDerWaalsContact O-N 3.11Å; Q991-R993 PolarHBondContact O-N 3.17Å
994	P	87.9	Confident	85.2	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.013	16%	0.161	C	C	.	.			trans	-73.4	153.7	172	32.7	-35	0	0	0	110.5	L928 V938 Y939 C949 Y992	L928-P994 HydrophobicContact CD1-CB 3.68Å; L928-P994 HydrophobicContact CD1-CG 3.61Å; V938-P994 HydrophobicContact CG1-CG 4.16Å; Y939-P994 HydrophobicContact CE2-CG 4.07Å; Y939-P994 WeakPolarHBondContact CE2-O 3.38Å; Y939-P994 VanDerWaalsContact CZ-O 3.3Å; Y939-P994 PolarHBondContact OH-O 2.82Å; C949-P994 HydrophobicContact CB-CG 4.05Å; Y992-P994 VanDerWaalsContact C-CD 3.43Å; Y992-P994 VanDerWaalsContact O-CD 3.24Å; Y992-P994 WeakPolarHBondContact O-CD 3.47Å
995	G	89.9	Confident	85.3	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	151.2	172.7	0	0	0	0	0	113.5	C949 A950 D958 Y997	C949-G995 CarbonylContact C-O 3.58Å; C949-G995 VanDerWaalsContact CA-O 3.24Å; C949-G995 WeakPolarHBondContact CA-O 3.21Å; C949-G995 WeakPolarHBondContact CB-O 3.31Å; A950-G995 PolarHBondContact N-O 3.16Å; A950-G995 PolarHBondContact O-N 2.99Å; D958-G995 WeakPolarHBondContact OD1-CA 3.23Å; D958-G995 PolarHBondContact OD1-N 3.32Å; G995-Y997 WeakPolarHBondContact O-CE2 3.33Å
996	V	93.9	Very high	86.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.1	175.7	-174.6	0	0	0	0	109.2	Y939 L943 T947 C949 S983 W984	Y939-V996 HydrophobicContact CD2-CG2 3.95Å; Y939-V996 HydrophobicContact CE2-CG2 3.42Å; Y939-V996 VanDerWaalsContact CE2-CG2 3.42Å; L943-V996 HydrophobicContact CD2-CB 4.47Å; L943-V996 HydrophobicContact CD2-CG1 3.65Å; L943-V996 HydrophobicContact CD2-CG2 3.91Å; T947-V996 HydrophobicContact CG2-CG1 4.25Å; C949-V996 HydrophobicContact CB-CG2 4.29Å; S983-V996 PolarHBondContact N-O 2.84Å; W984-V996 HydrophobicContact CD2-CB 4.04Å; W984-V996 HydrophobicContact CD2-CG1 4.49Å; W984-V996 HydrophobicContact CD2-CG2 4.12Å; W984-V996 HydrophobicContact CE3-CG2 4.35Å; W984-V996 HydrophobicContact CG-CB 4.2Å; W984-V996 HydrophobicContact CH2-CG2 4.16Å; W984-V996 HydrophobicContact CZ2-CB 4.29Å; W984-V996 HydrophobicContact CZ2-CG1 4.13Å; W984-V996 HydrophobicContact CZ2-CG2 3.92Å; W984-V996 HydrophobicContact CZ3-CG2 4.37Å; W984-V996 PolarHBondContact N-O 3.07Å; W984-V996 WeakPolarHBondContact O-CA 3.3Å; W984-V996 WeakPolarHBondContact O-CB 3.37Å; W984-V996 PolarHBondContact O-N 2.98Å
997	Y	95.6	Very high	87.2	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	137.5	-169.5	-53	-94.2	0	0	0	110.1	I906 I925 T947 F948 A950 S959 F968 V981 I982 G995	I906-Y997 HydrophobicContact CG2-CE1 3.75Å; I925-Y997 HydrophobicContact CD1-CE2 4.32Å; I925-Y997 WeakPolarHBondContact CD1-OH 3.34Å; T947-Y997 WeakPolarHBondContact CA-O 3.28Å; F948-Y997 WeakPolarHBondContact CD1-O 3.3Å; F948-Y997 HydrophobicContact CD2-CD2 4.48Å; F948-Y997 HydrophobicContact CE2-CD2 4.11Å; F948-Y997 HydrophobicContact CE2-CG 4.27Å; F948-Y997 HydrophobicContact CZ-CD2 4.48Å; F948-Y997 HydrophobicContact CZ-CG 4.17Å; F948-Y997 PolarHBondContact N-O 3.29Å; F948-Y997 PolarHBondContact O-N 2.82Å; A950-Y997 HydrophobicContact CB-CD2 3.96Å; A950-Y997 HydrophobicContact CB-CE2 3.61Å; S959-Y997 PolarHBondContact OG-OH 3.3Å; F968-Y997 HydrophobicContact CB-CD1 3.93Å; F968-Y997 HydrophobicContact CB-CE1 4.4Å; F968-Y997 AromaticContact CD2-CD1 3.76Å; F968-Y997 HydrophobicContact CD2-CD1 3.76Å; F968-Y997 HydrophobicContact CD2-CD2 4.28Å; F968-Y997 AromaticContact CD2-CE1 3.67Å; F968-Y997 HydrophobicContact CD2-CE1 3.67Å; F968-Y997 HydrophobicContact CD2-CE2 4.23Å; F968-Y997 HydrophobicContact CD2-CG 4.09Å; F968-Y997 AromaticContact CD2-CZ 3.95Å; F968-Y997 HydrophobicContact CE2-CD2 4.47Å; F968-Y997 HydrophobicContact CE2-CE1 4.46Å; F968-Y997 HydrophobicContact CE2-CE2 4.29Å; F968-Y997 HydrophobicContact CG-CD1 4.16Å; F968-Y997 HydrophobicContact CG-CE1 4.46Å; F968-Y997 HydrophobicContact CG-CG 4.46Å; V981-Y997 CarbonylContact O-C 3.52Å; V981-Y997 WeakPolarHBondContact O-CA 3.21Å; V981-Y997 WeakPolarHBondContact O-CB 3.1Å; I982-Y997 HydrophobicContact CB-CD1 4.41Å; I982-Y997 HydrophobicContact CB-CE1 4.38Å; I982-Y997 HydrophobicContact CG1-CD1 4.08Å; I982-Y997 HydrophobicContact CG1-CE1 3.86Å; I982-Y997 HydrophobicContact CG2-CE1 4.42Å; G995-Y997 WeakPolarHBondContact O-CE2 3.33Å
998	T	95.7	Very high	88.2	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.4	173.9	-51.9	0	0	0	0	109.3	D866 I867 G980 V981 V1000 Y1003	D866-T998 WeakPolarHBondContact O-CB 3.15Å; D866-T998 PolarHBondContact O-OG1 2.82Å; I867-T998 HydrophobicContact CB-CG2 4.01Å; I867-T998 HydrophobicContact CG2-CG2 4.29Å; G980-T998 VanDerWaalsContact CA-O 3.23Å; G980-T998 WeakPolarHBondContact CA-O 3.02Å; V981-T998 PolarHBondContact N-O 3.07Å; V981-T998 PolarHBondContact O-N 2.68Å; T998-V1000 PolarHBondContact O-N 2.65Å; T998-Y1003 HydrophobicContact CG2-CD2 4.19Å; T998-Y1003 HydrophobicContact CG2-CE2 3.52Å
999	R	95.1	Very high	89	Confident	34 Å²	34	38.3 Å²	38.3	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	95.8	-172	-162.5	-165.9	-55.3	-85.5	0.1	111.5	Y898 H946 T947 F948 K1001 D1002 Y1003	Y898-R999 HydrophobicContact CD1-CG 4.09Å; Y898-R999 HydrophobicContact CE1-CG 3.51Å; Y898-R999 HydrophobicContact CE2-CG 4.19Å; H946-R999 VanDerWaalsContact O-CB 3.26Å; H946-R999 WeakPolarHBondContact O-CB 3.45Å; H946-R999 PolarHBondContact O-N 2.92Å; T947-R999 PolarHBondContact O-NH2 3.1Å; F948-R999 HydrophobicContact CD1-CB 4.02Å; F948-R999 HydrophobicContact CD1-CG 4.08Å; F948-R999 HydrophobicContact CE1-CB 4.41Å; F948-R999 HydrophobicContact CE1-CG 4.41Å; R999-K1001 HydrophobicContact CG-CG 4.1Å; R999-K1001 PolarHBondContact O-N 3.19Å; R999-D1002 WeakPolarHBondContact CD-OD1 3.39Å; R999-D1002 WeakPolarHBondContact CD-OD2 3.21Å; R999-D1002 IonicContact NE-OD2 3.83Å; R999-D1002 PolarHBondContact O-N 2.94Å; R999-Y1003 WeakPolarHBondContact O-CD2 3.49Å
1000	V	96.6	Very high	90	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-57.4	-31.5	-170.1	172.5	0	0	0	0	113.8	I867 L891 P892 L978 H979 V981 T998 D1002 Y1003 I1007	I867-V1000 HydrophobicContact CD1-CG2 4.27Å; L891-V1000 HydrophobicContact CD2-CG1 4.39Å; P892-V1000 HydrophobicContact CG-CB 4.31Å; P892-V1000 HydrophobicContact CG-CG1 3.91Å; L978-V1000 HydrophobicContact CD2-CG2 4.44Å; L978-V1000 HydrophobicContact CG-CG2 4.21Å; L978-V1000 VanDerWaalsContact O-CB 3.31Å; L978-V1000 WeakPolarHBondContact O-CB 3.36Å; L978-V1000 WeakPolarHBondContact O-CG1 3.06Å; H979-V1000 PolarHBondContact O-N 3.08Å; V981-V1000 HydrophobicContact CG2-CG2 3.77Å; T998-V1000 PolarHBondContact O-N 2.65Å; V1000-D1002 PolarHBondContact O-N 3.27Å; V1000-Y1003 PolarHBondContact O-N 3.22Å; V1000-Y1003 VanDerWaalsContact O-N 3.15Å; V1000-I1007 HydrophobicContact CG1-CD1 3.89Å
1001	K	94.3	Very high	90.9	Very high	66 Å²	66	39.4 Å²	39.4	29%	0.287	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-60.2	-29.6	179.6	74.7	153.8	-173.8	178.2	0	113.4	P892 Y898 R999 Y1003 L1004	P892-K1001 HydrophobicContact CG-CB 4.2Å; Y898-K1001 HydrophobicContact CD2-CD 4.28Å; Y898-K1001 HydrophobicContact CE2-CB 4.19Å; Y898-K1001 HydrophobicContact CE2-CD 3.68Å; Y898-K1001 HydrophobicContact CE2-CG 3.64Å; Y898-K1001 PolarHBondContact OH-N 3.02Å; R999-K1001 HydrophobicContact CG-CG 4.1Å; R999-K1001 PolarHBondContact O-N 3.19Å; K1001-Y1003 PolarHBondContact O-N 3.2Å; K1001-L1004 HydrophobicContact CB-CD1 4.09Å; K1001-L1004 WeakPolarHBondContact O-CD1 3.26Å; K1001-L1004 WeakPolarHBondContact O-CG 3.3Å; K1001-L1004 PolarHBondContact O-N 3.47Å
1002	D	93.9	Very high	90.9	Very high	63 Å²	63	43.2 Å²	43.2	34%	0.337	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-74.6	-17.7	-175.6	-62.2	-7.6	0	0	0	111.3	H946 R999 V1000	H946-D1002 WeakPolarHBondContact CA-OD2 3.19Å; H946-D1002 IonicContact CG-OD2 3.69Å; H946-D1002 IonicContact ND1-OD2 3.28Å; H946-D1002 PolarHBondContact ND1-OD2 2.81Å; R999-D1002 WeakPolarHBondContact CD-OD1 3.39Å; R999-D1002 WeakPolarHBondContact CD-OD2 3.21Å; R999-D1002 IonicContact NE-OD2 3.83Å; R999-D1002 PolarHBondContact O-N 2.94Å; V1000-D1002 PolarHBondContact O-N 3.27Å
1003	Y	95.3	Very high	91.5	Very high	16 Å²	16	41.4 Å²	41.4	6%	0.063	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-104.9	5.3	-178.5	-59.2	-81.3	0	0	0	113.6	V856 D865 I867 H946 T998 R999 V1000 K1001 S1005 W1006 I1007	V856-Y1003 HydrophobicContact CG1-CE1 4.35Å; V856-Y1003 HydrophobicContact CG2-CD1 3.87Å; V856-Y1003 HydrophobicContact CG2-CE1 3.98Å; D865-Y1003 WeakPolarHBondContact CA-OH 3.46Å; D865-Y1003 HydrophobicContact CB-CE1 4.4Å; D865-Y1003 PolarHBondContact OD1-OH 3.29Å; I867-Y1003 HydrophobicContact CD1-CD2 4.27Å; I867-Y1003 HydrophobicContact CD1-CG 4.36Å; I867-Y1003 HydrophobicContact CG2-CD1 3.86Å; I867-Y1003 HydrophobicContact CG2-CD2 4.17Å; I867-Y1003 HydrophobicContact CG2-CE1 4Å; I867-Y1003 HydrophobicContact CG2-CE2 4.33Å; I867-Y1003 HydrophobicContact CG2-CG 3.95Å; H946-Y1003 HydrophobicContact CB-CE2 4.07Å; H946-Y1003 WeakPolarHBondContact CB-OH 3.49Å; T998-Y1003 HydrophobicContact CG2-CD2 4.19Å; T998-Y1003 HydrophobicContact CG2-CE2 3.52Å; R999-Y1003 WeakPolarHBondContact O-CD2 3.49Å; V1000-Y1003 PolarHBondContact O-N 3.22Å; V1000-Y1003 VanDerWaalsContact O-N 3.15Å; K1001-Y1003 PolarHBondContact O-N 3.2Å; Y1003-S1005 VanDerWaalsContact C-N 3.27Å; Y1003-S1005 PolarHBondContact O-N 3.06Å; Y1003-S1005 VanDerWaalsContact O-N 3.16Å; Y1003-W1006 PolarHBondContact O-N 2.84Å; Y1003-I1007 WeakPolarHBondContact O-CB 3.37Å; Y1003-I1007 VanDerWaalsContact O-CG1 3.31Å; Y1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; Y1003-I1007 PolarHBondContact O-N 3.18Å
1004	L	94.5	Very high	92	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-34.7	-171.6	-77.7	168.4	0	0	0	114.5	L891 P892 V894 K1001 K1008	L891-L1004 HydrophobicContact CB-CD2 4.07Å; P892-L1004 HydrophobicContact CG-CD1 4.48Å; P892-L1004 HydrophobicContact CG-CD2 4.16Å; P892-L1004 WeakPolarHBondContact O-CD1 3.27Å; P892-L1004 WeakPolarHBondContact O-CD2 3.39Å; V894-L1004 HydrophobicContact CG2-CD1 4.19Å; K1001-L1004 HydrophobicContact CB-CD1 4.09Å; K1001-L1004 WeakPolarHBondContact O-CD1 3.26Å; K1001-L1004 WeakPolarHBondContact O-CG 3.3Å; K1001-L1004 PolarHBondContact O-N 3.47Å; L1004-K1008 WeakPolarHBondContact O-CB 3.47Å; L1004-K1008 WeakPolarHBondContact O-CD 3.22Å; L1004-K1008 WeakPolarHBondContact O-CG 3.23Å; L1004-K1008 PolarHBondContact O-N 3.16Å
1005	S	91.2	Very high	92.3	Very high	90 Å²	90	45 Å²	45	63%	0.629	23%	0.232	S	C	*	.	H	α-helix	trans	-65.9	-54.5	177.1	-54.4	0	0	0	0	110.8	Y1003 I1007 K1008 E1009	Y1003-S1005 VanDerWaalsContact C-N 3.27Å; Y1003-S1005 PolarHBondContact O-N 3.06Å; Y1003-S1005 VanDerWaalsContact O-N 3.16Å; S1005-I1007 PolarHBondContact O-N 3.11Å; S1005-K1008 PolarHBondContact O-N 2.78Å; S1005-K1008 VanDerWaalsContact O-N 3.16Å; S1005-E1009 WeakPolarHBondContact O-CG 3.3Å; S1005-E1009 PolarHBondContact O-N 3.42Å
1006	W	94.9	Very high	92.4	Very high	31 Å²	31	47.6 Å²	47.6	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-44.5	177.5	173.2	73.8	0	0	0	112.1	S854 V856 I867 V869 Y1003 K1008 E1009 Q1010	S854-W1006 WeakPolarHBondContact O-CH2 3.49Å; S854-W1006 WeakPolarHBondContact O-CZ2 3.2Å; V856-W1006 HydrophobicContact CB-CD2 4.19Å; V856-W1006 HydrophobicContact CB-CE3 4.13Å; V856-W1006 HydrophobicContact CB-CH2 3.93Å; V856-W1006 HydrophobicContact CB-CZ2 4.01Å; V856-W1006 HydrophobicContact CB-CZ3 4Å; V856-W1006 HydrophobicContact CG2-CD2 3.92Å; V856-W1006 HydrophobicContact CG2-CE3 4.07Å; V856-W1006 HydrophobicContact CG2-CG 4.29Å; V856-W1006 HydrophobicContact CG2-CZ3 4.45Å; I867-W1006 HydrophobicContact CG1-CZ3 4.42Å; I867-W1006 HydrophobicContact CG2-CZ3 4.12Å; V869-W1006 HydrophobicContact CB-CH2 4.34Å; V869-W1006 HydrophobicContact CG2-CH2 3.79Å; V869-W1006 HydrophobicContact CG2-CZ3 3.78Å; Y1003-W1006 PolarHBondContact O-N 2.84Å; W1006-K1008 VanDerWaalsContact C-N 3.32Å; W1006-K1008 PolarHBondContact O-N 2.93Å; W1006-E1009 WeakPolarHBondContact O-CB 3.28Å; W1006-E1009 PolarHBondContact O-N 2.57Å; W1006-Q1010 HydrophobicContact CD2-CG 4.33Å; W1006-Q1010 HydrophobicContact CZ2-CG 3.99Å; W1006-Q1010 WeakPolarHBondContact O-CG 3.37Å; W1006-Q1010 PolarHBondContact O-N 3.02Å; W1006-Q1010 VanDerWaalsContact O-N 3.1Å
1007	I	95.3	Very high	92.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.8	-48.4	175.2	-69.3	163.7	0	0	0	110.1	I814 I867 V869 L891 V1000 Y1003 S1005 E1009 Q1010 L1011	I814-I1007 HydrophobicContact CD1-CD1 3.9Å; I814-I1007 HydrophobicContact CD1-CG1 4.19Å; I814-I1007 HydrophobicContact CD1-CG2 3.83Å; I867-I1007 HydrophobicContact CD1-CD1 4.1Å; V869-I1007 HydrophobicContact CG2-CG1 4.43Å; L891-I1007 HydrophobicContact CD1-CG2 3.72Å; L891-I1007 HydrophobicContact CD2-CG2 4.27Å; V1000-I1007 HydrophobicContact CG1-CD1 3.89Å; Y1003-I1007 WeakPolarHBondContact O-CB 3.37Å; Y1003-I1007 VanDerWaalsContact O-CG1 3.31Å; Y1003-I1007 WeakPolarHBondContact O-CG1 3.48Å; Y1003-I1007 PolarHBondContact O-N 3.18Å; S1005-I1007 PolarHBondContact O-N 3.11Å; I1007-E1009 VanDerWaalsContact C-N 3.32Å; I1007-E1009 PolarHBondContact O-N 2.88Å; I1007-Q1010 PolarHBondContact O-N 3.15Å; I1007-Q1010 VanDerWaalsContact O-N 3.08Å; I1007-L1011 HydrophobicContact CG2-CD1 3.95Å; I1007-L1011 HydrophobicContact CG2-CG 4.34Å; I1007-L1011 VanDerWaalsContact O-CG 3.3Å; I1007-L1011 WeakPolarHBondContact O-CG 3.3Å; I1007-L1011 PolarHBondContact O-N 3.37Å
1008	K	92	Very high	92.1	Very high	117 Å²	117	53.9 Å²	53.9	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-61.7	-38.1	179.8	-76.2	170.1	-177.5	-179.3	0	112.6	L1004 S1005 W1006 Q1010 L1011	L1004-K1008 WeakPolarHBondContact O-CB 3.47Å; L1004-K1008 WeakPolarHBondContact O-CD 3.22Å; L1004-K1008 WeakPolarHBondContact O-CG 3.23Å; L1004-K1008 PolarHBondContact O-N 3.16Å; S1005-K1008 PolarHBondContact O-N 2.78Å; S1005-K1008 VanDerWaalsContact O-N 3.16Å; W1006-K1008 VanDerWaalsContact C-N 3.32Å; W1006-K1008 PolarHBondContact O-N 2.93Å; K1008-Q1010 VanDerWaalsContact C-N 3.29Å; K1008-Q1010 PolarHBondContact O-N 2.91Å; K1008-L1011 PolarHBondContact O-N 2.75Å
1009	E	90.7	Very high	91.8	Very high	128 Å²	128	57.8 Å²	57.8	60%	0.598	30%	0.298	S	S	*	.	H	α-helix	trans	-62.1	-35.1	174	-68.5	163.9	-168.6	0	0	112.4	S1005 W1006 I1007 L1011	S1005-E1009 WeakPolarHBondContact O-CG 3.3Å; S1005-E1009 PolarHBondContact O-N 3.42Å; W1006-E1009 WeakPolarHBondContact O-CB 3.28Å; W1006-E1009 PolarHBondContact O-N 2.57Å; I1007-E1009 VanDerWaalsContact C-N 3.32Å; I1007-E1009 PolarHBondContact O-N 2.88Å; E1009-L1011 VanDerWaalsContact C-N 3.3Å; E1009-L1011 PolarHBondContact O-N 2.58Å
1010	Q	89.6	Confident	91.6	Very high	40 Å²	40	59.6 Å²	59.6	19%	0.187	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.1	176.2	-56.8	-49.2	-68.8	0	0	114.3	S854 V869 W1006 I1007 K1008	S854-Q1010 PolarHBondContact OG-OE1 2.84Å; V869-Q1010 HydrophobicContact CB-CB 4Å; V869-Q1010 HydrophobicContact CB-CG 4.26Å; V869-Q1010 HydrophobicContact CG1-CB 3.82Å; V869-Q1010 HydrophobicContact CG2-CB 4.04Å; V869-Q1010 HydrophobicContact CG2-CG 4.19Å; W1006-Q1010 HydrophobicContact CD2-CG 4.33Å; W1006-Q1010 HydrophobicContact CZ2-CG 3.99Å; W1006-Q1010 WeakPolarHBondContact O-CG 3.37Å; W1006-Q1010 PolarHBondContact O-N 3.02Å; W1006-Q1010 VanDerWaalsContact O-N 3.1Å; I1007-Q1010 PolarHBondContact O-N 3.15Å; I1007-Q1010 VanDerWaalsContact O-N 3.08Å; K1008-Q1010 VanDerWaalsContact C-N 3.29Å; K1008-Q1010 PolarHBondContact O-N 2.91Å
1011	L	87.4	Confident	91.1	Very high	49 Å²	49	64.6 Å²	64.6	26%	0.257	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.6	-177.7	-69.6	178.6	0	0	0	114.2	V808 H812 L891 I1007 K1008 E1009	V808-L1011 HydrophobicContact CG2-CD2 3.94Å; H812-L1011 HydrophobicContact CB-CD2 3.25Å; H812-L1011 VanDerWaalsContact CG-CD2 3.45Å; H812-L1011 WeakPolarHBondContact ND1-CD2 3.27Å; L891-L1011 HydrophobicContact CD1-CD1 3.85Å; I1007-L1011 HydrophobicContact CG2-CD1 3.95Å; I1007-L1011 HydrophobicContact CG2-CG 4.34Å; I1007-L1011 VanDerWaalsContact O-CG 3.3Å; I1007-L1011 WeakPolarHBondContact O-CG 3.3Å; I1007-L1011 PolarHBondContact O-N 3.37Å; K1008-L1011 PolarHBondContact O-N 2.75Å; E1009-L1011 VanDerWaalsContact C-N 3.3Å; E1009-L1011 PolarHBondContact O-N 2.58Å
1012	V	74.7	Confident	90.9	Very high	168 Å²	168	64.5 Å²	64.5	100%	1.018	34%	0.341	S	S	*	.			trans	-86.6	0	176.3	-178.6	0	0	0	0	110.2

Retrieved 1,012 of 1,012 residues in 785.9 ms (Link to these results)

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